阳庆元头像

阳庆元
  • 个人概况
  • 研究领域
  • 开授课程
  • 科研项目
  • 论文信息
  • 科技成果
  • 荣誉及奖励
  • 招生信息
扫一扫
手机访问
研究方向 ： 化工热力学与材料化工
教授 
部门 ： 化学工程学院
学历： 博士研究生毕业
DBLP：

个人简介

教育经历

入学时间 毕业时间 学位授予单位 学历
2001-09-01 2005-07-01 北京化工大学 博士研究生毕业
1999-09-01 2001-07-01 北京化工大学 硕士研究生毕业
1995-09-01 1999-07-01 北京化工大学 大学本科毕业

工作经历

起始年月 截止年月 所在单位名称
2010-01-01 2011-11-30 法国蒙彼利埃大学
2005-07-01 至今 北京化工大学

社会职务

社会活动

研究领域

本科生

课程名称 开课学年 课程总学时 选课人数 课程性质
化工热力学 2022 48 62 专业必修
化工热力学 2021 48 62 专业必修
化工热力学 2020 48 55 专业必修
化工热力学 2019 48 84 专业必修

研究生

课程名称 开课学年 总学时 开课方式
分子模拟方法（留学生） 2022 48 A公共基础课
分子模拟方法（留学生） 2020 48 A公共基础课
分子模拟方法（留学生） 2017 48 A公共基础课
分子模拟方法（留学生） 2016 48 A公共基础课

校级项目

纵向项目

  • 1. 膜材料基因组学计算方法与软件 ，国家重点研发计划，项目时间：2021-12-01 至 2025-11-30
  • 2. 纳微界面作用下的氢同位素量子筛分机制及材料定向设计研究 ，国家自然科学基金项目，项目时间：2021-01-01 至 2024-12-31
  • 3. BHJG2018020 ，主管部门科技项目，项目时间：2018-01-01 至 2021-12-31
  • 4. “超重力+”宏量制备多尺度口腔无机纳米材料 ，国家重点研发计划，项目时间：2016-07-01 至 2021-06-30
  • 5. 生物甲烷化过程中多相界面微环境的构筑和调控(二期) ，“９７３”计划，项目时间：2015-01-01 至 2017-12-31
  • 6. 化工热力学理论及计算机模拟 ，国家自然科学基金项目，项目时间：2014-01-01 至 2016-12-31
  • 7. 生物甲烷化过程中多相界面微环境的构筑和调控 ，“９７３”计划，项目时间：2013-01-01 至 2014-12-31
  • 8. MOF ，主管部门科技项目，项目时间：2013-01-01 至 2015-12-31
  • 9. 用于天然气中酸性组份脱除的新型金属－有机骨架膜分子设计与制备 ，国家自然科学基金项目，项目时间：2013-01-01 至 2016-12-31
  • 10. 烟道气中二氧化碳捕集分离材料的分子设计与应用研究 ，其他课题，项目时间：2009-02-01 至 2011-12-31
  • 11. 氢气与二氧化碳在新型金属－有机骨架材料中存储及扩散机理的计算化学与实验研究 ，国家自然科学基金项目，项目时间：2008-01-01 至 2010-12-31

横向项目

  • 1. 含氮有机化合物合成服务采购合同书 ，其他研究项目，项目时间：2023-08-09 至 2024-08-09
  • 2. 放射性金属离子捕获材料的稳定性测试与筛选 ，其他课题，项目时间：2020-11-01 至 2022-10-31

论文信息

[+][-]代表性论文
  • 1. DOI 张占军,刘其朋,Dashu Pan,Yubing Xue,Xiaojuan Liu,Jing Zhao,Yinggen Ouyang,丁晓帆,肖松涛,阳庆元
    Formation of a PVP-protected C/UO2/Pt catalyst in a direct ethanol fuel cell[期刊论文]，RSC Advances，2023-05-26
  • 2. DOI 陈兴正,Gan Li,Songtao Xiao,Wenjuan Xue,Xudong Zhao,阳庆元
    Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen- Rich Ion Traps Based on a Meta-Organic Framework[期刊论文]，ACS Applied Materials & Interfaces，2023-05-09
  • 3. DOI 杨金才,Tong, Minman,Han, Guopeng,常苗,颜同安,应允攀,阳庆元,刘大欢
    Solubility-Boosted Molecular Sieving-Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites[期刊论文]，Advanced Functional Materials，2023-04-11
  • 4. DOI 丁晓帆,肖松涛,王婷,曾祖操,赵旭东,阳庆元
    Stability of metal-organic frameworks towards Beta-ray irradiation: Role of organic groups[期刊论文]，MICROPOROUS AND MESOPOROUS MATERIALS，2023-03-08
  • 5. DOI 阳庆元,张心怡,冯璇,刘志平,刘清雅
    学生多元化角色培养：化工热力学融合式教学模式改革与实践[期刊论文]，化工高等教育，2023-03-07
  • 6. DOI 王周君,刘大欢,刘晓林,丁文明,阳庆元
    化工专业课程的思政建设探索与实践——以化工工艺学为例[期刊论文]，化工高等教育，2022-12-31
  • 7. DOI 颜同安,毕志远,刘大欢,张晓楠,卢罡,阳庆元
    A Self-Evolutionary Methodology for Reverse Design of Novel MOFs[期刊论文]，Journal of Physical Chemistry A，2022-11-07
  • 8. DOI Huifang Zhao,Ting Wang,刘大欢,阳庆元
    Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept[期刊论文]，CrystEngComm，2022-10-27
  • 9. DOI 赵英杰,Tang, Wen-Qi,王晓伟,赵慧芳,Gu, Zhi-Yuan,阳庆元,刘大欢
    Isomer recognition by dynamic guest-adaptive ligand rotation in a metal-organic framework with local flexibility[期刊论文]，CHEMICAL SCIENCE，2022-10-19
  • 10. DOI 陈兴政,Liu, Xiaojuan,Xiao, Songtao,Xue, Wenjuan,Zhao, Xudong,阳庆元
    A β-ray irradiation resistant MOF-based trap for efficient capture of Th(IV) ion[期刊论文]，Separation and Purification Technology，2022-09-15
  • 11. DOI 任嘉豪,Zeng, Wenjiang,陈艳玲,Fu, Xiaolong,阳庆元
    In silico screening and experimental study of anion-pillared metal-organic frameworks for hydrogen isotope separation[期刊论文]，Separation and Purification Technology，2022-08-15
  • 12. DOI 郭彭涛,陈艳玲,常苗,李雨潇,阳庆元,刘大欢
    A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N(2 )Mixtures[期刊论文]，JOURNAL OF CHEMICAL AND ENGINEERING DATA，2022-07-14
  • 13. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2022-07-01
  • 14. DOI 陈艳玲,白星阳,刘大欢,Fu, Xiaolong,阳庆元
    High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes[期刊论文]，ACS Applied Materials & Interfaces，2022-05-23
  • 15. DOI 顾兴平,Han, Guopeng,阳庆元,刘大欢
    Confinement-Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release[期刊论文]，ADVANCED MATERIALS INTERFACES，2022-05-01
  • 16. DOI 王飞,毕志远,丁理峰,阳庆元
    Large-scale computational screening of metal–organic frameworks for D2/H2 separation[期刊论文]，Chinese Journal of Chemical Engineering，2022-04-10
  • 17. DOI Chen, Chunying,Mo, Qijie,Fu, Jia,阳庆元,Zhang, Li,Su, Cheng-Yong
    PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)-Porphyrin-Based Metal-Organic Framework[期刊论文]，ACS Catalysis，2022-03-18
  • 18. DOI 颜同安,Tong, Minman,阳庆元,刘大欢,Guo, Yandong,Zhong, Chongli
    Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites[期刊论文]，Chinese Journal of Chemical Engineering，2022-02-01
  • 19. DOI 常苗,王飞,魏雁,阳庆元,王洁欣,刘大欢,陈建峰
    Separation of CH4/N2 by an ultra-stable metal–organic framework with the highest breakthrough selectivity[期刊论文]，AIChE Journal，2022-01-01
  • 20. DOI 常苗,任嘉豪,魏雁,王洁欣,阳庆元,刘大欢,陈建峰
    A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-15
  • 21. DOI Wang, Shao-Min,王飞,Dong, Yong-Li,Shivanna, Mohana,Dong, Qiubing,Mu, Xuan-Tong,Duan, Jingui,阳庆元,Zaworotko, Michael J.,Yang, Qing-Yuan
    Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-01
  • 22. DOI 赖欣,卢罡,王磊,毕志远,阳庆元,俞度立
    基于ANN的新型MOFs性能预测[期刊论文]，计算机系统应用，2021-09-15
  • 23. DOI 颜同安,刘大欢,阳庆元,仲崇立
    Screening and Design of COF-Based Mixed-Matrix Membrane for CH4/N2 Separation[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-09-05
  • 24. DOI 刘畅飞,刘瑶瑶,向中华,刘大欢,阳庆元
    Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-08-04
  • 25. DOI 赖欣,杨培松,王坤峰,阳庆元,俞度立
    MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks[期刊论文]，MOLECULAR INFORMATICS，2021-08-01
  • 26. DOI 任嘉豪,常苗,Zeng, Wenjiang,Xia, Yuanhua,刘大欢,Maurin, Guillaume,阳庆元
    Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture[期刊论文]，Chemistry of Materials，2021-07-13
  • 27. DOI Wang, Ying,Wang, Guanyu,Liu, Yuan,Zheng, Baishu,Wang, Zhaoxu,阳庆元
    Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening[期刊论文]，ACS SUSTAINABLE CHEMISTRY & ENGINEERING，2021-07-05
  • 28. DOI 阳庆元,车羿臻,刘志平,陈晓春
    化工热力学基本关系式的教学方法改革与实践[期刊论文]，化工高等教育，2021-06-30
  • 29. DOI 杨培松,张欢,赖欣,王坤峰,阳庆元,俞度立
    Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning[期刊论文]，ACS Omega，2021-06-25
  • 30. DOI 王亮亮,Sun, Weizhen,阳庆元
    Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations[期刊论文]，ENERGY & FUELS，2021-06-17
  • 31. DOI 王同阁,常苗,颜同安,Ying, Yunpan,阳庆元,刘大欢
    Calcium-Based Metal-Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-04-28
  • 32. DOI 张欢,杨培松,俞度立,王坤峰,阳庆元
    Prediction of methane storage in covalent organic frameworks using big-data-mining approach[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-03-17
  • 33. DOI 常苗,任嘉豪,阳庆元,刘大欢
    A robust calcium-based microporous metal-organic framework for efficient CH4/N-2 separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2021-03-15
  • 34. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2021-01-12
  • 35. DOI 王莹,郑柏树,王刘盛,汪冠宇,曾文江,汪朝旭,阳庆元
    锆基金属-有机骨架材料分离放射性气体Rn的计算筛选研究[期刊论文]，化工学报，2021-01-06
  • 36. DOI Han, Guopeng,Liu, Changfei,阳庆元,刘大欢,仲崇立
    Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-12-01
  • 37. DOI 阳庆元,Yuan Liu,Zan Zhan,Fengxiang Zhou,Zhaoxu Wang,Baishu Zheng,Tian Lu
    Probing the halogen bond donation ability of multivalent At-center in AtXn (X=Cl, Br, I; n=1, 3, 5)...H2O/H2S complexes[期刊论文]，and Theoretical Chemistry，2020-11-13
  • 38. DOI Ting Wang,Huifang Zhao,Xudong Zhao,阳庆元,刘大欢
    Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal-Organic Framework to Remove the Toxic Bromine Ions[期刊论文]，Journal of Chemical & Engnieering Data，2020-11-02
  • 39. DOI Miao Chang,Jiahao Ren,阳庆元,刘大欢
    A Robust Calcium-Based Microporous Metal-Organic Framework for Efficient CH4/N2 Separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-10-05
  • 40. DOI 刘磊,王磊,刘大欢,阳庆元,仲崇立
    High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation[期刊论文]，GREEN ENERGY & ENVIRONMENT，2020-07-01
  • 41. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,阳庆元,Zheng, Baishu
    Probing Au center dot center dot center dot O and Au center dot center dot center dot P regium bonding interaction in AuX (X = F, Cl, Br)center dot center dot center dot RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2020-06-01
  • 42. DOI Liao, Junxiong,Zeng, Wenjiang,Zheng, Baishu,Cao, Xiyang,Wang, Zhaoxu,Wang, Guanyu,阳庆元
    Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal-organic framework[期刊论文]，INORGANIC CHEMISTRY FRONTIERS，2020-05-07
  • 43. DOI Cao, Dawei,任嘉豪,Gong, Yu,Huang, Hongliang,Fu, Xiaolong,常苗,Chen, Xiaojun,Xiao, Chengjian,刘大欢,阳庆元,Zhong, Chongli,Peng, Shuming,Zhang, Zhengjun
    Quantum sieving of H-2/D-2 in MOFs: a study on the correlation between the separation performance, pore size and temperature[期刊论文]，JOURNAL OF MATERIALS CHEMISTRY A，2020-04-07
  • 44. DOI Fengxiang Zhou,Yuan Liu,Zhaoxu Wang,阳庆元,Baishu Zheng
    Probing Au...O and Au...P regium bonding interaction in AuX (X=F, Cl, Br)...RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，Computational and Theoretical Chemistry，2020-03-27
  • 45. DOI Lei Liu,Lei Wang,刘大欢,阳庆元,仲崇立
    High-Throughput computational screening of Cu-MOFs with open metal site for efficient C2H2/C2H4 separation[期刊论文]，Green Energy & Environment，2020-03-06
  • 46. DOI Huang, Lili,Liu, Jianwei,Liu, Lei,阳庆元,马志勇,Jia, Xinru
    A D-A-D' type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism[期刊论文]，DYES AND PIGMENTS，2020-02-01
  • 47. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    Study on efficient separation of SF6/N2 mixture using a hydrothermally stable metal-organic framework[期刊论文]，Huagong Xuebao/CIESC Journal，2020-01-01
  • 48. DOI Zhou, Fengxiang,Zheng, Baishu,刘大欢,Wang, Zhaoxu,阳庆元
    Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation[期刊论文]，ACS APPLIED MATERIALS & INTERFACES，2019-12-18
  • 49. DOI Huang, Lili,Liu, Lei,Li, Xianjiang,Hu, Huan,Chen, Mingxing,阳庆元,马志勇,Jia, Xinru
    Crystal-State Photochromism and Dual-Mode Mechanochromism of an Organic Molecule with Fluorescence, Room-Temperature Phosphorescence, and Delayed Fluorescence[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-11-11
  • 50. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    水热稳定金属-有机骨架材料用于高效分离SF6/N2混合物的研究[期刊论文]，化工学报，2019-10-22
  • 51. DOI Miao Chang,Yingjie Zhao,阳庆元,刘大欢
    Microporous Metal-Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture[期刊论文]，ACS Omega，2019-08-28
  • 52. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,Lu, Tian,阳庆元,Liu, Yi,Zheng, Baishu
    A new type of halogen bond involving multivalent astatine: an ab initio study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-07-28
  • 53. DOI Tongan Yan,Youshi Lan,刘大欢,阳庆元,仲崇立
    Large-Scale Screening and Design of Metal-Organic Frameworks for CH4/N2 Separation[期刊论文]，Chemistry an Asian Journal，2019-07-20
  • 54. DOI 王磊,方桂英,阳庆元
    金属-有机骨架材料CO2捕获性能的大规模计算筛选[期刊论文]，化工学报，2019-03-05
  • 55. DOI Lan, Youshi,Han, Xianghao,Tong, Minman,Huang, Hongliang,阳庆元,刘大欢,Zhao, Xin,仲崇立
    Materials genomics methods for high-throughput construction of COFs and targeted synthesis[期刊论文]，NATURE COMMUNICATIONS，2018-12-10
  • 56. DOI Ce Zhang,Lei Wang,Guillaume Maurin,阳庆元
    In Silico Screening of MOFs with Open Copper Sites for C2H2/CO2 Separation[期刊论文]，AIChE Journal，2018-09-04
  • 57. DOI Zhang, Ce,Lan, Youshi,Guo, Xiangyu,阳庆元,仲崇立
    Materials genomics-guided ab initio screening of MOFs with open copper sites for acetylene storage[期刊论文]，AICHE JOURNAL，2018-04-01
  • 58. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 59. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 60. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 61. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 62. DOI 郭翔宇,刘大欢,韩彤彤,黄宏亮,阳庆元,仲崇立
    Preparation of Thin Film Nanocomposite Membranes with Surface Modified MOF for High Flux Organic Solvent Nanofiltration[期刊论文]，AICHE JOURNAL，2017-04-01
  • 63. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 64. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 65. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 66. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 67. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 68. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 69. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 70. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 71. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 72. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 73. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 74. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 75. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 76. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 77. DOI 马京,张玉田,阳庆元,刘大欢,仲崇立
    功能化的金属有机纳米多孔分子笼混合基质膜高效分离CO 2 与CH 4[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 78. DOI 应允攀,兰友世,刘大欢,阳庆元,仲崇立
    ZIF-7/PDMS混合基质膜用于丙酮回收[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 79. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 80. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 81. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 82. DOI 侯丹丹,刘大欢,阳庆元,仲崇立
    金属-有机骨架材料在气体膜分离中的研究进展[期刊论文]，化工进展，2015-08-05
  • 83. DOI 阳庆元,郭翔宇,刘大欢,仲崇立
    纳微结构材料构效关系的计算方法研究[期刊论文]，北京化工大学学报自然科学版，2015-08-01
  • 84. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 85. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 86. DOI Wang; Yong,Yang; Jianfeng,Li; Zhengjie,Zhang; Zhuoming,Li; Jinping,阳庆元,仲崇立
    Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions[期刊论文]，RSC Advances，2015-04-02
  • 87. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 88. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 89. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 90. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 91. DOI 许红,童敏曼,吴栋,肖刚,阳庆元,刘大欢,仲崇立
    金属-有机骨架材料用于去除天然气中H 2 S的计算研究[期刊论文]，物理化学学报，2015-01-15
  • 92. DOI Huang; Hongliang,Ban; Yujie,阳庆元,Xiao; yuanlong,Li; Yanshuo,Yang; weisheng,Zhong; Chongli
    Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation[期刊论文]，JOURNAL OF MEMBRANE SCIENCE，2015-01-14
  • 93. DOI 陈玉龙,李子巍,温世鹏,阳庆元,张立群,仲崇立,刘力
    Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)[期刊论文]，JOURNAL OF CHEMICAL PHYSICS，2014-09-14
  • 94. DOI 麻沁甜,肖远龙,童敏曼,李正杰,阳庆元,刘大欢,仲崇立
    热力学和计算化学在纳微结构材料构效关系研究与设计中的应用[期刊论文]，中国科学:化学，2014-06-20
  • 95. DOI 王可可,李亮莎,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    铪金属-有机骨架材料的孔尺寸调控及其吸附性能[期刊论文]，化工学报，2014-05-15
  • 96. DOI 应允攀,曾凡平,吴平易,阳庆元,刘大欢,兰玲,王少华,张轶,仲崇立
    溶剂化效应对金属-有机骨架材料界面微环境催化性能的影响[期刊论文]，化工学报，2014-01-10
  • 97. DOI 薄晓帆,吴平易,刘大欢,阳庆元,麻沁甜,兰玲,王少华,张轶,仲崇立
    负载金属的ZIF-8催化活性的计算化学研究[期刊论文]，化工学报，2014-01-10
  • 98. DOI 李亮莎,王可可,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    高稳定铪金属-有机骨架材料的合成及二氧化碳捕获性能[期刊论文]，化工学报，2014-01-10
  • 99. DOI 陈玉龙,刘力,阳庆元,温世鹏,张立群,仲崇立
    Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow[期刊论文]，LANGMUIR，2013-11-12
[+][-] 2024年
  • 1. DOI 张占军,刘其朋,Dashu Pan,Yubing Xue,Xiaojuan Liu,Jing Zhao,Yinggen Ouyang,丁晓帆,肖松涛,阳庆元
    Formation of a PVP-protected C/UO2/Pt catalyst in a direct ethanol fuel cell[期刊论文]，RSC Advances，2023-05-26
  • 2. DOI 陈兴正,Gan Li,Songtao Xiao,Wenjuan Xue,Xudong Zhao,阳庆元
    Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen- Rich Ion Traps Based on a Meta-Organic Framework[期刊论文]，ACS Applied Materials & Interfaces，2023-05-09
  • 3. DOI 杨金才,Tong, Minman,Han, Guopeng,常苗,颜同安,应允攀,阳庆元,刘大欢
    Solubility-Boosted Molecular Sieving-Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites[期刊论文]，Advanced Functional Materials，2023-04-11
  • 4. DOI 丁晓帆,肖松涛,王婷,曾祖操,赵旭东,阳庆元
    Stability of metal-organic frameworks towards Beta-ray irradiation: Role of organic groups[期刊论文]，MICROPOROUS AND MESOPOROUS MATERIALS，2023-03-08
  • 5. DOI 阳庆元,张心怡,冯璇,刘志平,刘清雅
    学生多元化角色培养：化工热力学融合式教学模式改革与实践[期刊论文]，化工高等教育，2023-03-07
  • 6. DOI 王周君,刘大欢,刘晓林,丁文明,阳庆元
    化工专业课程的思政建设探索与实践——以化工工艺学为例[期刊论文]，化工高等教育，2022-12-31
  • 7. DOI 颜同安,毕志远,刘大欢,张晓楠,卢罡,阳庆元
    A Self-Evolutionary Methodology for Reverse Design of Novel MOFs[期刊论文]，Journal of Physical Chemistry A，2022-11-07
  • 8. DOI Huifang Zhao,Ting Wang,刘大欢,阳庆元
    Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept[期刊论文]，CrystEngComm，2022-10-27
  • 9. DOI 赵英杰,Tang, Wen-Qi,王晓伟,赵慧芳,Gu, Zhi-Yuan,阳庆元,刘大欢
    Isomer recognition by dynamic guest-adaptive ligand rotation in a metal-organic framework with local flexibility[期刊论文]，CHEMICAL SCIENCE，2022-10-19
  • 10. DOI 陈兴政,Liu, Xiaojuan,Xiao, Songtao,Xue, Wenjuan,Zhao, Xudong,阳庆元
    A β-ray irradiation resistant MOF-based trap for efficient capture of Th(IV) ion[期刊论文]，Separation and Purification Technology，2022-09-15
  • 11. DOI 任嘉豪,Zeng, Wenjiang,陈艳玲,Fu, Xiaolong,阳庆元
    In silico screening and experimental study of anion-pillared metal-organic frameworks for hydrogen isotope separation[期刊论文]，Separation and Purification Technology，2022-08-15
  • 12. DOI 郭彭涛,陈艳玲,常苗,李雨潇,阳庆元,刘大欢
    A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N(2 )Mixtures[期刊论文]，JOURNAL OF CHEMICAL AND ENGINEERING DATA，2022-07-14
  • 13. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2022-07-01
  • 14. DOI 陈艳玲,白星阳,刘大欢,Fu, Xiaolong,阳庆元
    High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes[期刊论文]，ACS Applied Materials & Interfaces，2022-05-23
  • 15. DOI 顾兴平,Han, Guopeng,阳庆元,刘大欢
    Confinement-Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release[期刊论文]，ADVANCED MATERIALS INTERFACES，2022-05-01
  • 16. DOI 王飞,毕志远,丁理峰,阳庆元
    Large-scale computational screening of metal–organic frameworks for D2/H2 separation[期刊论文]，Chinese Journal of Chemical Engineering，2022-04-10
  • 17. DOI Chen, Chunying,Mo, Qijie,Fu, Jia,阳庆元,Zhang, Li,Su, Cheng-Yong
    PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)-Porphyrin-Based Metal-Organic Framework[期刊论文]，ACS Catalysis，2022-03-18
  • 18. DOI 颜同安,Tong, Minman,阳庆元,刘大欢,Guo, Yandong,Zhong, Chongli
    Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites[期刊论文]，Chinese Journal of Chemical Engineering，2022-02-01
  • 19. DOI 常苗,王飞,魏雁,阳庆元,王洁欣,刘大欢,陈建峰
    Separation of CH4/N2 by an ultra-stable metal–organic framework with the highest breakthrough selectivity[期刊论文]，AIChE Journal，2022-01-01
  • 20. DOI 常苗,任嘉豪,魏雁,王洁欣,阳庆元,刘大欢,陈建峰
    A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-15
  • 21. DOI Wang, Shao-Min,王飞,Dong, Yong-Li,Shivanna, Mohana,Dong, Qiubing,Mu, Xuan-Tong,Duan, Jingui,阳庆元,Zaworotko, Michael J.,Yang, Qing-Yuan
    Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-01
  • 22. DOI 赖欣,卢罡,王磊,毕志远,阳庆元,俞度立
    基于ANN的新型MOFs性能预测[期刊论文]，计算机系统应用，2021-09-15
  • 23. DOI 颜同安,刘大欢,阳庆元,仲崇立
    Screening and Design of COF-Based Mixed-Matrix Membrane for CH4/N2 Separation[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-09-05
  • 24. DOI 刘畅飞,刘瑶瑶,向中华,刘大欢,阳庆元
    Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-08-04
  • 25. DOI 赖欣,杨培松,王坤峰,阳庆元,俞度立
    MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks[期刊论文]，MOLECULAR INFORMATICS，2021-08-01
  • 26. DOI 任嘉豪,常苗,Zeng, Wenjiang,Xia, Yuanhua,刘大欢,Maurin, Guillaume,阳庆元
    Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture[期刊论文]，Chemistry of Materials，2021-07-13
  • 27. DOI Wang, Ying,Wang, Guanyu,Liu, Yuan,Zheng, Baishu,Wang, Zhaoxu,阳庆元
    Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening[期刊论文]，ACS SUSTAINABLE CHEMISTRY & ENGINEERING，2021-07-05
  • 28. DOI 阳庆元,车羿臻,刘志平,陈晓春
    化工热力学基本关系式的教学方法改革与实践[期刊论文]，化工高等教育，2021-06-30
  • 29. DOI 杨培松,张欢,赖欣,王坤峰,阳庆元,俞度立
    Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning[期刊论文]，ACS Omega，2021-06-25
  • 30. DOI 王亮亮,Sun, Weizhen,阳庆元
    Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations[期刊论文]，ENERGY & FUELS，2021-06-17
  • 31. DOI 王同阁,常苗,颜同安,Ying, Yunpan,阳庆元,刘大欢
    Calcium-Based Metal-Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-04-28
  • 32. DOI 张欢,杨培松,俞度立,王坤峰,阳庆元
    Prediction of methane storage in covalent organic frameworks using big-data-mining approach[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-03-17
  • 33. DOI 常苗,任嘉豪,阳庆元,刘大欢
    A robust calcium-based microporous metal-organic framework for efficient CH4/N-2 separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2021-03-15
  • 34. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2021-01-12
  • 35. DOI 王莹,郑柏树,王刘盛,汪冠宇,曾文江,汪朝旭,阳庆元
    锆基金属-有机骨架材料分离放射性气体Rn的计算筛选研究[期刊论文]，化工学报，2021-01-06
  • 36. DOI Han, Guopeng,Liu, Changfei,阳庆元,刘大欢,仲崇立
    Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-12-01
  • 37. DOI 阳庆元,Yuan Liu,Zan Zhan,Fengxiang Zhou,Zhaoxu Wang,Baishu Zheng,Tian Lu
    Probing the halogen bond donation ability of multivalent At-center in AtXn (X=Cl, Br, I; n=1, 3, 5)...H2O/H2S complexes[期刊论文]，and Theoretical Chemistry，2020-11-13
  • 38. DOI Ting Wang,Huifang Zhao,Xudong Zhao,阳庆元,刘大欢
    Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal-Organic Framework to Remove the Toxic Bromine Ions[期刊论文]，Journal of Chemical & Engnieering Data，2020-11-02
  • 39. DOI Miao Chang,Jiahao Ren,阳庆元,刘大欢
    A Robust Calcium-Based Microporous Metal-Organic Framework for Efficient CH4/N2 Separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-10-05
  • 40. DOI 刘磊,王磊,刘大欢,阳庆元,仲崇立
    High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation[期刊论文]，GREEN ENERGY & ENVIRONMENT，2020-07-01
  • 41. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,阳庆元,Zheng, Baishu
    Probing Au center dot center dot center dot O and Au center dot center dot center dot P regium bonding interaction in AuX (X = F, Cl, Br)center dot center dot center dot RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2020-06-01
  • 42. DOI Liao, Junxiong,Zeng, Wenjiang,Zheng, Baishu,Cao, Xiyang,Wang, Zhaoxu,Wang, Guanyu,阳庆元
    Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal-organic framework[期刊论文]，INORGANIC CHEMISTRY FRONTIERS，2020-05-07
  • 43. DOI Cao, Dawei,任嘉豪,Gong, Yu,Huang, Hongliang,Fu, Xiaolong,常苗,Chen, Xiaojun,Xiao, Chengjian,刘大欢,阳庆元,Zhong, Chongli,Peng, Shuming,Zhang, Zhengjun
    Quantum sieving of H-2/D-2 in MOFs: a study on the correlation between the separation performance, pore size and temperature[期刊论文]，JOURNAL OF MATERIALS CHEMISTRY A，2020-04-07
  • 44. DOI Fengxiang Zhou,Yuan Liu,Zhaoxu Wang,阳庆元,Baishu Zheng
    Probing Au...O and Au...P regium bonding interaction in AuX (X=F, Cl, Br)...RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，Computational and Theoretical Chemistry，2020-03-27
  • 45. DOI Lei Liu,Lei Wang,刘大欢,阳庆元,仲崇立
    High-Throughput computational screening of Cu-MOFs with open metal site for efficient C2H2/C2H4 separation[期刊论文]，Green Energy & Environment，2020-03-06
  • 46. DOI Huang, Lili,Liu, Jianwei,Liu, Lei,阳庆元,马志勇,Jia, Xinru
    A D-A-D' type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism[期刊论文]，DYES AND PIGMENTS，2020-02-01
  • 47. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    Study on efficient separation of SF6/N2 mixture using a hydrothermally stable metal-organic framework[期刊论文]，Huagong Xuebao/CIESC Journal，2020-01-01
  • 48. DOI Zhou, Fengxiang,Zheng, Baishu,刘大欢,Wang, Zhaoxu,阳庆元
    Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation[期刊论文]，ACS APPLIED MATERIALS & INTERFACES，2019-12-18
  • 49. DOI Huang, Lili,Liu, Lei,Li, Xianjiang,Hu, Huan,Chen, Mingxing,阳庆元,马志勇,Jia, Xinru
    Crystal-State Photochromism and Dual-Mode Mechanochromism of an Organic Molecule with Fluorescence, Room-Temperature Phosphorescence, and Delayed Fluorescence[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-11-11
  • 50. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    水热稳定金属-有机骨架材料用于高效分离SF6/N2混合物的研究[期刊论文]，化工学报，2019-10-22
  • 51. DOI Miao Chang,Yingjie Zhao,阳庆元,刘大欢
    Microporous Metal-Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture[期刊论文]，ACS Omega，2019-08-28
  • 52. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,Lu, Tian,阳庆元,Liu, Yi,Zheng, Baishu
    A new type of halogen bond involving multivalent astatine: an ab initio study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-07-28
  • 53. DOI Tongan Yan,Youshi Lan,刘大欢,阳庆元,仲崇立
    Large-Scale Screening and Design of Metal-Organic Frameworks for CH4/N2 Separation[期刊论文]，Chemistry an Asian Journal，2019-07-20
  • 54. DOI 王磊,方桂英,阳庆元
    金属-有机骨架材料CO2捕获性能的大规模计算筛选[期刊论文]，化工学报，2019-03-05
  • 55. DOI Lan, Youshi,Han, Xianghao,Tong, Minman,Huang, Hongliang,阳庆元,刘大欢,Zhao, Xin,仲崇立
    Materials genomics methods for high-throughput construction of COFs and targeted synthesis[期刊论文]，NATURE COMMUNICATIONS，2018-12-10
  • 56. DOI Ce Zhang,Lei Wang,Guillaume Maurin,阳庆元
    In Silico Screening of MOFs with Open Copper Sites for C2H2/CO2 Separation[期刊论文]，AIChE Journal，2018-09-04
  • 57. DOI Zhang, Ce,Lan, Youshi,Guo, Xiangyu,阳庆元,仲崇立
    Materials genomics-guided ab initio screening of MOFs with open copper sites for acetylene storage[期刊论文]，AICHE JOURNAL，2018-04-01
  • 58. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 59. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 60. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 61. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 62. DOI 郭翔宇,刘大欢,韩彤彤,黄宏亮,阳庆元,仲崇立
    Preparation of Thin Film Nanocomposite Membranes with Surface Modified MOF for High Flux Organic Solvent Nanofiltration[期刊论文]，AICHE JOURNAL，2017-04-01
  • 63. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 64. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 65. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 66. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 67. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 68. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 69. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 70. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 71. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 72. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 73. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 74. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 75. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 76. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 77. DOI 马京,张玉田,阳庆元,刘大欢,仲崇立
    功能化的金属有机纳米多孔分子笼混合基质膜高效分离CO 2 与CH 4[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 78. DOI 应允攀,兰友世,刘大欢,阳庆元,仲崇立
    ZIF-7/PDMS混合基质膜用于丙酮回收[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 79. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 80. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 81. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 82. DOI 侯丹丹,刘大欢,阳庆元,仲崇立
    金属-有机骨架材料在气体膜分离中的研究进展[期刊论文]，化工进展，2015-08-05
  • 83. DOI 阳庆元,郭翔宇,刘大欢,仲崇立
    纳微结构材料构效关系的计算方法研究[期刊论文]，北京化工大学学报自然科学版，2015-08-01
  • 84. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 85. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 86. DOI Wang; Yong,Yang; Jianfeng,Li; Zhengjie,Zhang; Zhuoming,Li; Jinping,阳庆元,仲崇立
    Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions[期刊论文]，RSC Advances，2015-04-02
  • 87. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 88. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 89. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 90. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 91. DOI 许红,童敏曼,吴栋,肖刚,阳庆元,刘大欢,仲崇立
    金属-有机骨架材料用于去除天然气中H 2 S的计算研究[期刊论文]，物理化学学报，2015-01-15
  • 92. DOI Huang; Hongliang,Ban; Yujie,阳庆元,Xiao; yuanlong,Li; Yanshuo,Yang; weisheng,Zhong; Chongli
    Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation[期刊论文]，JOURNAL OF MEMBRANE SCIENCE，2015-01-14
  • 93. DOI 陈玉龙,李子巍,温世鹏,阳庆元,张立群,仲崇立,刘力
    Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)[期刊论文]，JOURNAL OF CHEMICAL PHYSICS，2014-09-14
  • 94. DOI 麻沁甜,肖远龙,童敏曼,李正杰,阳庆元,刘大欢,仲崇立
    热力学和计算化学在纳微结构材料构效关系研究与设计中的应用[期刊论文]，中国科学:化学，2014-06-20
  • 95. DOI 王可可,李亮莎,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    铪金属-有机骨架材料的孔尺寸调控及其吸附性能[期刊论文]，化工学报，2014-05-15
  • 96. DOI 应允攀,曾凡平,吴平易,阳庆元,刘大欢,兰玲,王少华,张轶,仲崇立
    溶剂化效应对金属-有机骨架材料界面微环境催化性能的影响[期刊论文]，化工学报，2014-01-10
  • 97. DOI 薄晓帆,吴平易,刘大欢,阳庆元,麻沁甜,兰玲,王少华,张轶,仲崇立
    负载金属的ZIF-8催化活性的计算化学研究[期刊论文]，化工学报，2014-01-10
  • 98. DOI 李亮莎,王可可,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    高稳定铪金属-有机骨架材料的合成及二氧化碳捕获性能[期刊论文]，化工学报，2014-01-10
  • 99. DOI 陈玉龙,刘力,阳庆元,温世鹏,张立群,仲崇立
    Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow[期刊论文]，LANGMUIR，2013-11-12
[+][-] 2023年
  • 1. DOI 张占军,刘其朋,Dashu Pan,Yubing Xue,Xiaojuan Liu,Jing Zhao,Yinggen Ouyang,丁晓帆,肖松涛,阳庆元
    Formation of a PVP-protected C/UO2/Pt catalyst in a direct ethanol fuel cell[期刊论文]，RSC Advances，2023-05-26
  • 2. DOI 陈兴正,Gan Li,Songtao Xiao,Wenjuan Xue,Xudong Zhao,阳庆元
    Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen- Rich Ion Traps Based on a Meta-Organic Framework[期刊论文]，ACS Applied Materials & Interfaces，2023-05-09
  • 3. DOI 杨金才,Tong, Minman,Han, Guopeng,常苗,颜同安,应允攀,阳庆元,刘大欢
    Solubility-Boosted Molecular Sieving-Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites[期刊论文]，Advanced Functional Materials，2023-04-11
  • 4. DOI 丁晓帆,肖松涛,王婷,曾祖操,赵旭东,阳庆元
    Stability of metal-organic frameworks towards Beta-ray irradiation: Role of organic groups[期刊论文]，MICROPOROUS AND MESOPOROUS MATERIALS，2023-03-08
  • 5. DOI 阳庆元,张心怡,冯璇,刘志平,刘清雅
    学生多元化角色培养：化工热力学融合式教学模式改革与实践[期刊论文]，化工高等教育，2023-03-07
  • 6. DOI 王周君,刘大欢,刘晓林,丁文明,阳庆元
    化工专业课程的思政建设探索与实践——以化工工艺学为例[期刊论文]，化工高等教育，2022-12-31
  • 7. DOI 颜同安,毕志远,刘大欢,张晓楠,卢罡,阳庆元
    A Self-Evolutionary Methodology for Reverse Design of Novel MOFs[期刊论文]，Journal of Physical Chemistry A，2022-11-07
  • 8. DOI Huifang Zhao,Ting Wang,刘大欢,阳庆元
    Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept[期刊论文]，CrystEngComm，2022-10-27
  • 9. DOI 赵英杰,Tang, Wen-Qi,王晓伟,赵慧芳,Gu, Zhi-Yuan,阳庆元,刘大欢
    Isomer recognition by dynamic guest-adaptive ligand rotation in a metal-organic framework with local flexibility[期刊论文]，CHEMICAL SCIENCE，2022-10-19
  • 10. DOI 陈兴政,Liu, Xiaojuan,Xiao, Songtao,Xue, Wenjuan,Zhao, Xudong,阳庆元
    A β-ray irradiation resistant MOF-based trap for efficient capture of Th(IV) ion[期刊论文]，Separation and Purification Technology，2022-09-15
  • 11. DOI 任嘉豪,Zeng, Wenjiang,陈艳玲,Fu, Xiaolong,阳庆元
    In silico screening and experimental study of anion-pillared metal-organic frameworks for hydrogen isotope separation[期刊论文]，Separation and Purification Technology，2022-08-15
  • 12. DOI 郭彭涛,陈艳玲,常苗,李雨潇,阳庆元,刘大欢
    A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N(2 )Mixtures[期刊论文]，JOURNAL OF CHEMICAL AND ENGINEERING DATA，2022-07-14
  • 13. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2022-07-01
  • 14. DOI 陈艳玲,白星阳,刘大欢,Fu, Xiaolong,阳庆元
    High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes[期刊论文]，ACS Applied Materials & Interfaces，2022-05-23
  • 15. DOI 顾兴平,Han, Guopeng,阳庆元,刘大欢
    Confinement-Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release[期刊论文]，ADVANCED MATERIALS INTERFACES，2022-05-01
  • 16. DOI 王飞,毕志远,丁理峰,阳庆元
    Large-scale computational screening of metal–organic frameworks for D2/H2 separation[期刊论文]，Chinese Journal of Chemical Engineering，2022-04-10
  • 17. DOI Chen, Chunying,Mo, Qijie,Fu, Jia,阳庆元,Zhang, Li,Su, Cheng-Yong
    PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)-Porphyrin-Based Metal-Organic Framework[期刊论文]，ACS Catalysis，2022-03-18
  • 18. DOI 颜同安,Tong, Minman,阳庆元,刘大欢,Guo, Yandong,Zhong, Chongli
    Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites[期刊论文]，Chinese Journal of Chemical Engineering，2022-02-01
  • 19. DOI 常苗,王飞,魏雁,阳庆元,王洁欣,刘大欢,陈建峰
    Separation of CH4/N2 by an ultra-stable metal–organic framework with the highest breakthrough selectivity[期刊论文]，AIChE Journal，2022-01-01
  • 20. DOI 常苗,任嘉豪,魏雁,王洁欣,阳庆元,刘大欢,陈建峰
    A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-15
  • 21. DOI Wang, Shao-Min,王飞,Dong, Yong-Li,Shivanna, Mohana,Dong, Qiubing,Mu, Xuan-Tong,Duan, Jingui,阳庆元,Zaworotko, Michael J.,Yang, Qing-Yuan
    Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-01
  • 22. DOI 赖欣,卢罡,王磊,毕志远,阳庆元,俞度立
    基于ANN的新型MOFs性能预测[期刊论文]，计算机系统应用，2021-09-15
  • 23. DOI 颜同安,刘大欢,阳庆元,仲崇立
    Screening and Design of COF-Based Mixed-Matrix Membrane for CH4/N2 Separation[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-09-05
  • 24. DOI 刘畅飞,刘瑶瑶,向中华,刘大欢,阳庆元
    Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-08-04
  • 25. DOI 赖欣,杨培松,王坤峰,阳庆元,俞度立
    MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks[期刊论文]，MOLECULAR INFORMATICS，2021-08-01
  • 26. DOI 任嘉豪,常苗,Zeng, Wenjiang,Xia, Yuanhua,刘大欢,Maurin, Guillaume,阳庆元
    Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture[期刊论文]，Chemistry of Materials，2021-07-13
  • 27. DOI Wang, Ying,Wang, Guanyu,Liu, Yuan,Zheng, Baishu,Wang, Zhaoxu,阳庆元
    Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening[期刊论文]，ACS SUSTAINABLE CHEMISTRY & ENGINEERING，2021-07-05
  • 28. DOI 阳庆元,车羿臻,刘志平,陈晓春
    化工热力学基本关系式的教学方法改革与实践[期刊论文]，化工高等教育，2021-06-30
  • 29. DOI 杨培松,张欢,赖欣,王坤峰,阳庆元,俞度立
    Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning[期刊论文]，ACS Omega，2021-06-25
  • 30. DOI 王亮亮,Sun, Weizhen,阳庆元
    Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations[期刊论文]，ENERGY & FUELS，2021-06-17
  • 31. DOI 王同阁,常苗,颜同安,Ying, Yunpan,阳庆元,刘大欢
    Calcium-Based Metal-Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-04-28
  • 32. DOI 张欢,杨培松,俞度立,王坤峰,阳庆元
    Prediction of methane storage in covalent organic frameworks using big-data-mining approach[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-03-17
  • 33. DOI 常苗,任嘉豪,阳庆元,刘大欢
    A robust calcium-based microporous metal-organic framework for efficient CH4/N-2 separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2021-03-15
  • 34. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2021-01-12
  • 35. DOI 王莹,郑柏树,王刘盛,汪冠宇,曾文江,汪朝旭,阳庆元
    锆基金属-有机骨架材料分离放射性气体Rn的计算筛选研究[期刊论文]，化工学报，2021-01-06
  • 36. DOI Han, Guopeng,Liu, Changfei,阳庆元,刘大欢,仲崇立
    Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-12-01
  • 37. DOI 阳庆元,Yuan Liu,Zan Zhan,Fengxiang Zhou,Zhaoxu Wang,Baishu Zheng,Tian Lu
    Probing the halogen bond donation ability of multivalent At-center in AtXn (X=Cl, Br, I; n=1, 3, 5)...H2O/H2S complexes[期刊论文]，and Theoretical Chemistry，2020-11-13
  • 38. DOI Ting Wang,Huifang Zhao,Xudong Zhao,阳庆元,刘大欢
    Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal-Organic Framework to Remove the Toxic Bromine Ions[期刊论文]，Journal of Chemical & Engnieering Data，2020-11-02
  • 39. DOI Miao Chang,Jiahao Ren,阳庆元,刘大欢
    A Robust Calcium-Based Microporous Metal-Organic Framework for Efficient CH4/N2 Separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-10-05
  • 40. DOI 刘磊,王磊,刘大欢,阳庆元,仲崇立
    High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation[期刊论文]，GREEN ENERGY & ENVIRONMENT，2020-07-01
  • 41. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,阳庆元,Zheng, Baishu
    Probing Au center dot center dot center dot O and Au center dot center dot center dot P regium bonding interaction in AuX (X = F, Cl, Br)center dot center dot center dot RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2020-06-01
  • 42. DOI Liao, Junxiong,Zeng, Wenjiang,Zheng, Baishu,Cao, Xiyang,Wang, Zhaoxu,Wang, Guanyu,阳庆元
    Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal-organic framework[期刊论文]，INORGANIC CHEMISTRY FRONTIERS，2020-05-07
  • 43. DOI Cao, Dawei,任嘉豪,Gong, Yu,Huang, Hongliang,Fu, Xiaolong,常苗,Chen, Xiaojun,Xiao, Chengjian,刘大欢,阳庆元,Zhong, Chongli,Peng, Shuming,Zhang, Zhengjun
    Quantum sieving of H-2/D-2 in MOFs: a study on the correlation between the separation performance, pore size and temperature[期刊论文]，JOURNAL OF MATERIALS CHEMISTRY A，2020-04-07
  • 44. DOI Fengxiang Zhou,Yuan Liu,Zhaoxu Wang,阳庆元,Baishu Zheng
    Probing Au...O and Au...P regium bonding interaction in AuX (X=F, Cl, Br)...RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，Computational and Theoretical Chemistry，2020-03-27
  • 45. DOI Lei Liu,Lei Wang,刘大欢,阳庆元,仲崇立
    High-Throughput computational screening of Cu-MOFs with open metal site for efficient C2H2/C2H4 separation[期刊论文]，Green Energy & Environment，2020-03-06
  • 46. DOI Huang, Lili,Liu, Jianwei,Liu, Lei,阳庆元,马志勇,Jia, Xinru
    A D-A-D' type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism[期刊论文]，DYES AND PIGMENTS，2020-02-01
  • 47. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    Study on efficient separation of SF6/N2 mixture using a hydrothermally stable metal-organic framework[期刊论文]，Huagong Xuebao/CIESC Journal，2020-01-01
  • 48. DOI Zhou, Fengxiang,Zheng, Baishu,刘大欢,Wang, Zhaoxu,阳庆元
    Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation[期刊论文]，ACS APPLIED MATERIALS & INTERFACES，2019-12-18
  • 49. DOI Huang, Lili,Liu, Lei,Li, Xianjiang,Hu, Huan,Chen, Mingxing,阳庆元,马志勇,Jia, Xinru
    Crystal-State Photochromism and Dual-Mode Mechanochromism of an Organic Molecule with Fluorescence, Room-Temperature Phosphorescence, and Delayed Fluorescence[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-11-11
  • 50. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    水热稳定金属-有机骨架材料用于高效分离SF6/N2混合物的研究[期刊论文]，化工学报，2019-10-22
  • 51. DOI Miao Chang,Yingjie Zhao,阳庆元,刘大欢
    Microporous Metal-Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture[期刊论文]，ACS Omega，2019-08-28
  • 52. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,Lu, Tian,阳庆元,Liu, Yi,Zheng, Baishu
    A new type of halogen bond involving multivalent astatine: an ab initio study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-07-28
  • 53. DOI Tongan Yan,Youshi Lan,刘大欢,阳庆元,仲崇立
    Large-Scale Screening and Design of Metal-Organic Frameworks for CH4/N2 Separation[期刊论文]，Chemistry an Asian Journal，2019-07-20
  • 54. DOI 王磊,方桂英,阳庆元
    金属-有机骨架材料CO2捕获性能的大规模计算筛选[期刊论文]，化工学报，2019-03-05
  • 55. DOI Lan, Youshi,Han, Xianghao,Tong, Minman,Huang, Hongliang,阳庆元,刘大欢,Zhao, Xin,仲崇立
    Materials genomics methods for high-throughput construction of COFs and targeted synthesis[期刊论文]，NATURE COMMUNICATIONS，2018-12-10
  • 56. DOI Ce Zhang,Lei Wang,Guillaume Maurin,阳庆元
    In Silico Screening of MOFs with Open Copper Sites for C2H2/CO2 Separation[期刊论文]，AIChE Journal，2018-09-04
  • 57. DOI Zhang, Ce,Lan, Youshi,Guo, Xiangyu,阳庆元,仲崇立
    Materials genomics-guided ab initio screening of MOFs with open copper sites for acetylene storage[期刊论文]，AICHE JOURNAL，2018-04-01
  • 58. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 59. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 60. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 61. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 62. DOI 郭翔宇,刘大欢,韩彤彤,黄宏亮,阳庆元,仲崇立
    Preparation of Thin Film Nanocomposite Membranes with Surface Modified MOF for High Flux Organic Solvent Nanofiltration[期刊论文]，AICHE JOURNAL，2017-04-01
  • 63. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 64. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 65. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 66. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 67. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 68. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 69. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 70. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 71. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 72. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 73. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 74. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 75. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 76. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 77. DOI 马京,张玉田,阳庆元,刘大欢,仲崇立
    功能化的金属有机纳米多孔分子笼混合基质膜高效分离CO 2 与CH 4[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 78. DOI 应允攀,兰友世,刘大欢,阳庆元,仲崇立
    ZIF-7/PDMS混合基质膜用于丙酮回收[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 79. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 80. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 81. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 82. DOI 侯丹丹,刘大欢,阳庆元,仲崇立
    金属-有机骨架材料在气体膜分离中的研究进展[期刊论文]，化工进展，2015-08-05
  • 83. DOI 阳庆元,郭翔宇,刘大欢,仲崇立
    纳微结构材料构效关系的计算方法研究[期刊论文]，北京化工大学学报自然科学版，2015-08-01
  • 84. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 85. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 86. DOI Wang; Yong,Yang; Jianfeng,Li; Zhengjie,Zhang; Zhuoming,Li; Jinping,阳庆元,仲崇立
    Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions[期刊论文]，RSC Advances，2015-04-02
  • 87. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 88. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 89. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 90. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 91. DOI 许红,童敏曼,吴栋,肖刚,阳庆元,刘大欢,仲崇立
    金属-有机骨架材料用于去除天然气中H 2 S的计算研究[期刊论文]，物理化学学报，2015-01-15
  • 92. DOI Huang; Hongliang,Ban; Yujie,阳庆元,Xiao; yuanlong,Li; Yanshuo,Yang; weisheng,Zhong; Chongli
    Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation[期刊论文]，JOURNAL OF MEMBRANE SCIENCE，2015-01-14
  • 93. DOI 陈玉龙,李子巍,温世鹏,阳庆元,张立群,仲崇立,刘力
    Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)[期刊论文]，JOURNAL OF CHEMICAL PHYSICS，2014-09-14
  • 94. DOI 麻沁甜,肖远龙,童敏曼,李正杰,阳庆元,刘大欢,仲崇立
    热力学和计算化学在纳微结构材料构效关系研究与设计中的应用[期刊论文]，中国科学:化学，2014-06-20
  • 95. DOI 王可可,李亮莎,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    铪金属-有机骨架材料的孔尺寸调控及其吸附性能[期刊论文]，化工学报，2014-05-15
  • 96. DOI 应允攀,曾凡平,吴平易,阳庆元,刘大欢,兰玲,王少华,张轶,仲崇立
    溶剂化效应对金属-有机骨架材料界面微环境催化性能的影响[期刊论文]，化工学报，2014-01-10
  • 97. DOI 薄晓帆,吴平易,刘大欢,阳庆元,麻沁甜,兰玲,王少华,张轶,仲崇立
    负载金属的ZIF-8催化活性的计算化学研究[期刊论文]，化工学报，2014-01-10
  • 98. DOI 李亮莎,王可可,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    高稳定铪金属-有机骨架材料的合成及二氧化碳捕获性能[期刊论文]，化工学报，2014-01-10
  • 99. DOI 陈玉龙,刘力,阳庆元,温世鹏,张立群,仲崇立
    Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow[期刊论文]，LANGMUIR，2013-11-12
[+][-]2022年
  • 1. DOI 张占军,刘其朋,Dashu Pan,Yubing Xue,Xiaojuan Liu,Jing Zhao,Yinggen Ouyang,丁晓帆,肖松涛,阳庆元
    Formation of a PVP-protected C/UO2/Pt catalyst in a direct ethanol fuel cell[期刊论文]，RSC Advances，2023-05-26
  • 2. DOI 陈兴正,Gan Li,Songtao Xiao,Wenjuan Xue,Xudong Zhao,阳庆元
    Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen- Rich Ion Traps Based on a Meta-Organic Framework[期刊论文]，ACS Applied Materials & Interfaces，2023-05-09
  • 3. DOI 杨金才,Tong, Minman,Han, Guopeng,常苗,颜同安,应允攀,阳庆元,刘大欢
    Solubility-Boosted Molecular Sieving-Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites[期刊论文]，Advanced Functional Materials，2023-04-11
  • 4. DOI 丁晓帆,肖松涛,王婷,曾祖操,赵旭东,阳庆元
    Stability of metal-organic frameworks towards Beta-ray irradiation: Role of organic groups[期刊论文]，MICROPOROUS AND MESOPOROUS MATERIALS，2023-03-08
  • 5. DOI 阳庆元,张心怡,冯璇,刘志平,刘清雅
    学生多元化角色培养：化工热力学融合式教学模式改革与实践[期刊论文]，化工高等教育，2023-03-07
  • 6. DOI 王周君,刘大欢,刘晓林,丁文明,阳庆元
    化工专业课程的思政建设探索与实践——以化工工艺学为例[期刊论文]，化工高等教育，2022-12-31
  • 7. DOI 颜同安,毕志远,刘大欢,张晓楠,卢罡,阳庆元
    A Self-Evolutionary Methodology for Reverse Design of Novel MOFs[期刊论文]，Journal of Physical Chemistry A，2022-11-07
  • 8. DOI Huifang Zhao,Ting Wang,刘大欢,阳庆元
    Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept[期刊论文]，CrystEngComm，2022-10-27
  • 9. DOI 赵英杰,Tang, Wen-Qi,王晓伟,赵慧芳,Gu, Zhi-Yuan,阳庆元,刘大欢
    Isomer recognition by dynamic guest-adaptive ligand rotation in a metal-organic framework with local flexibility[期刊论文]，CHEMICAL SCIENCE，2022-10-19
  • 10. DOI 陈兴政,Liu, Xiaojuan,Xiao, Songtao,Xue, Wenjuan,Zhao, Xudong,阳庆元
    A β-ray irradiation resistant MOF-based trap for efficient capture of Th(IV) ion[期刊论文]，Separation and Purification Technology，2022-09-15
  • 11. DOI 任嘉豪,Zeng, Wenjiang,陈艳玲,Fu, Xiaolong,阳庆元
    In silico screening and experimental study of anion-pillared metal-organic frameworks for hydrogen isotope separation[期刊论文]，Separation and Purification Technology，2022-08-15
  • 12. DOI 郭彭涛,陈艳玲,常苗,李雨潇,阳庆元,刘大欢
    A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N(2 )Mixtures[期刊论文]，JOURNAL OF CHEMICAL AND ENGINEERING DATA，2022-07-14
  • 13. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2022-07-01
  • 14. DOI 陈艳玲,白星阳,刘大欢,Fu, Xiaolong,阳庆元
    High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes[期刊论文]，ACS Applied Materials & Interfaces，2022-05-23
  • 15. DOI 顾兴平,Han, Guopeng,阳庆元,刘大欢
    Confinement-Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release[期刊论文]，ADVANCED MATERIALS INTERFACES，2022-05-01
  • 16. DOI 王飞,毕志远,丁理峰,阳庆元
    Large-scale computational screening of metal–organic frameworks for D2/H2 separation[期刊论文]，Chinese Journal of Chemical Engineering，2022-04-10
  • 17. DOI Chen, Chunying,Mo, Qijie,Fu, Jia,阳庆元,Zhang, Li,Su, Cheng-Yong
    PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)-Porphyrin-Based Metal-Organic Framework[期刊论文]，ACS Catalysis，2022-03-18
  • 18. DOI 颜同安,Tong, Minman,阳庆元,刘大欢,Guo, Yandong,Zhong, Chongli
    Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites[期刊论文]，Chinese Journal of Chemical Engineering，2022-02-01
  • 19. DOI 常苗,王飞,魏雁,阳庆元,王洁欣,刘大欢,陈建峰
    Separation of CH4/N2 by an ultra-stable metal–organic framework with the highest breakthrough selectivity[期刊论文]，AIChE Journal，2022-01-01
  • 20. DOI 常苗,任嘉豪,魏雁,王洁欣,阳庆元,刘大欢,陈建峰
    A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-15
  • 21. DOI Wang, Shao-Min,王飞,Dong, Yong-Li,Shivanna, Mohana,Dong, Qiubing,Mu, Xuan-Tong,Duan, Jingui,阳庆元,Zaworotko, Michael J.,Yang, Qing-Yuan
    Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-01
  • 22. DOI 赖欣,卢罡,王磊,毕志远,阳庆元,俞度立
    基于ANN的新型MOFs性能预测[期刊论文]，计算机系统应用，2021-09-15
  • 23. DOI 颜同安,刘大欢,阳庆元,仲崇立
    Screening and Design of COF-Based Mixed-Matrix Membrane for CH4/N2 Separation[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-09-05
  • 24. DOI 刘畅飞,刘瑶瑶,向中华,刘大欢,阳庆元
    Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-08-04
  • 25. DOI 赖欣,杨培松,王坤峰,阳庆元,俞度立
    MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks[期刊论文]，MOLECULAR INFORMATICS，2021-08-01
  • 26. DOI 任嘉豪,常苗,Zeng, Wenjiang,Xia, Yuanhua,刘大欢,Maurin, Guillaume,阳庆元
    Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture[期刊论文]，Chemistry of Materials，2021-07-13
  • 27. DOI Wang, Ying,Wang, Guanyu,Liu, Yuan,Zheng, Baishu,Wang, Zhaoxu,阳庆元
    Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening[期刊论文]，ACS SUSTAINABLE CHEMISTRY & ENGINEERING，2021-07-05
  • 28. DOI 阳庆元,车羿臻,刘志平,陈晓春
    化工热力学基本关系式的教学方法改革与实践[期刊论文]，化工高等教育，2021-06-30
  • 29. DOI 杨培松,张欢,赖欣,王坤峰,阳庆元,俞度立
    Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning[期刊论文]，ACS Omega，2021-06-25
  • 30. DOI 王亮亮,Sun, Weizhen,阳庆元
    Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations[期刊论文]，ENERGY & FUELS，2021-06-17
  • 31. DOI 王同阁,常苗,颜同安,Ying, Yunpan,阳庆元,刘大欢
    Calcium-Based Metal-Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-04-28
  • 32. DOI 张欢,杨培松,俞度立,王坤峰,阳庆元
    Prediction of methane storage in covalent organic frameworks using big-data-mining approach[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-03-17
  • 33. DOI 常苗,任嘉豪,阳庆元,刘大欢
    A robust calcium-based microporous metal-organic framework for efficient CH4/N-2 separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2021-03-15
  • 34. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2021-01-12
  • 35. DOI 王莹,郑柏树,王刘盛,汪冠宇,曾文江,汪朝旭,阳庆元
    锆基金属-有机骨架材料分离放射性气体Rn的计算筛选研究[期刊论文]，化工学报，2021-01-06
  • 36. DOI Han, Guopeng,Liu, Changfei,阳庆元,刘大欢,仲崇立
    Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-12-01
  • 37. DOI 阳庆元,Yuan Liu,Zan Zhan,Fengxiang Zhou,Zhaoxu Wang,Baishu Zheng,Tian Lu
    Probing the halogen bond donation ability of multivalent At-center in AtXn (X=Cl, Br, I; n=1, 3, 5)...H2O/H2S complexes[期刊论文]，and Theoretical Chemistry，2020-11-13
  • 38. DOI Ting Wang,Huifang Zhao,Xudong Zhao,阳庆元,刘大欢
    Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal-Organic Framework to Remove the Toxic Bromine Ions[期刊论文]，Journal of Chemical & Engnieering Data，2020-11-02
  • 39. DOI Miao Chang,Jiahao Ren,阳庆元,刘大欢
    A Robust Calcium-Based Microporous Metal-Organic Framework for Efficient CH4/N2 Separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-10-05
  • 40. DOI 刘磊,王磊,刘大欢,阳庆元,仲崇立
    High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation[期刊论文]，GREEN ENERGY & ENVIRONMENT，2020-07-01
  • 41. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,阳庆元,Zheng, Baishu
    Probing Au center dot center dot center dot O and Au center dot center dot center dot P regium bonding interaction in AuX (X = F, Cl, Br)center dot center dot center dot RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2020-06-01
  • 42. DOI Liao, Junxiong,Zeng, Wenjiang,Zheng, Baishu,Cao, Xiyang,Wang, Zhaoxu,Wang, Guanyu,阳庆元
    Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal-organic framework[期刊论文]，INORGANIC CHEMISTRY FRONTIERS，2020-05-07
  • 43. DOI Cao, Dawei,任嘉豪,Gong, Yu,Huang, Hongliang,Fu, Xiaolong,常苗,Chen, Xiaojun,Xiao, Chengjian,刘大欢,阳庆元,Zhong, Chongli,Peng, Shuming,Zhang, Zhengjun
    Quantum sieving of H-2/D-2 in MOFs: a study on the correlation between the separation performance, pore size and temperature[期刊论文]，JOURNAL OF MATERIALS CHEMISTRY A，2020-04-07
  • 44. DOI Fengxiang Zhou,Yuan Liu,Zhaoxu Wang,阳庆元,Baishu Zheng
    Probing Au...O and Au...P regium bonding interaction in AuX (X=F, Cl, Br)...RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，Computational and Theoretical Chemistry，2020-03-27
  • 45. DOI Lei Liu,Lei Wang,刘大欢,阳庆元,仲崇立
    High-Throughput computational screening of Cu-MOFs with open metal site for efficient C2H2/C2H4 separation[期刊论文]，Green Energy & Environment，2020-03-06
  • 46. DOI Huang, Lili,Liu, Jianwei,Liu, Lei,阳庆元,马志勇,Jia, Xinru
    A D-A-D' type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism[期刊论文]，DYES AND PIGMENTS，2020-02-01
  • 47. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    Study on efficient separation of SF6/N2 mixture using a hydrothermally stable metal-organic framework[期刊论文]，Huagong Xuebao/CIESC Journal，2020-01-01
  • 48. DOI Zhou, Fengxiang,Zheng, Baishu,刘大欢,Wang, Zhaoxu,阳庆元
    Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation[期刊论文]，ACS APPLIED MATERIALS & INTERFACES，2019-12-18
  • 49. DOI Huang, Lili,Liu, Lei,Li, Xianjiang,Hu, Huan,Chen, Mingxing,阳庆元,马志勇,Jia, Xinru
    Crystal-State Photochromism and Dual-Mode Mechanochromism of an Organic Molecule with Fluorescence, Room-Temperature Phosphorescence, and Delayed Fluorescence[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-11-11
  • 50. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    水热稳定金属-有机骨架材料用于高效分离SF6/N2混合物的研究[期刊论文]，化工学报，2019-10-22
  • 51. DOI Miao Chang,Yingjie Zhao,阳庆元,刘大欢
    Microporous Metal-Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture[期刊论文]，ACS Omega，2019-08-28
  • 52. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,Lu, Tian,阳庆元,Liu, Yi,Zheng, Baishu
    A new type of halogen bond involving multivalent astatine: an ab initio study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-07-28
  • 53. DOI Tongan Yan,Youshi Lan,刘大欢,阳庆元,仲崇立
    Large-Scale Screening and Design of Metal-Organic Frameworks for CH4/N2 Separation[期刊论文]，Chemistry an Asian Journal，2019-07-20
  • 54. DOI 王磊,方桂英,阳庆元
    金属-有机骨架材料CO2捕获性能的大规模计算筛选[期刊论文]，化工学报，2019-03-05
  • 55. DOI Lan, Youshi,Han, Xianghao,Tong, Minman,Huang, Hongliang,阳庆元,刘大欢,Zhao, Xin,仲崇立
    Materials genomics methods for high-throughput construction of COFs and targeted synthesis[期刊论文]，NATURE COMMUNICATIONS，2018-12-10
  • 56. DOI Ce Zhang,Lei Wang,Guillaume Maurin,阳庆元
    In Silico Screening of MOFs with Open Copper Sites for C2H2/CO2 Separation[期刊论文]，AIChE Journal，2018-09-04
  • 57. DOI Zhang, Ce,Lan, Youshi,Guo, Xiangyu,阳庆元,仲崇立
    Materials genomics-guided ab initio screening of MOFs with open copper sites for acetylene storage[期刊论文]，AICHE JOURNAL，2018-04-01
  • 58. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 59. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 60. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 61. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 62. DOI 郭翔宇,刘大欢,韩彤彤,黄宏亮,阳庆元,仲崇立
    Preparation of Thin Film Nanocomposite Membranes with Surface Modified MOF for High Flux Organic Solvent Nanofiltration[期刊论文]，AICHE JOURNAL，2017-04-01
  • 63. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 64. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 65. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 66. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 67. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 68. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 69. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 70. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 71. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 72. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 73. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 74. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 75. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 76. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 77. DOI 马京,张玉田,阳庆元,刘大欢,仲崇立
    功能化的金属有机纳米多孔分子笼混合基质膜高效分离CO 2 与CH 4[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 78. DOI 应允攀,兰友世,刘大欢,阳庆元,仲崇立
    ZIF-7/PDMS混合基质膜用于丙酮回收[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 79. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 80. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 81. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 82. DOI 侯丹丹,刘大欢,阳庆元,仲崇立
    金属-有机骨架材料在气体膜分离中的研究进展[期刊论文]，化工进展，2015-08-05
  • 83. DOI 阳庆元,郭翔宇,刘大欢,仲崇立
    纳微结构材料构效关系的计算方法研究[期刊论文]，北京化工大学学报自然科学版，2015-08-01
  • 84. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 85. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 86. DOI Wang; Yong,Yang; Jianfeng,Li; Zhengjie,Zhang; Zhuoming,Li; Jinping,阳庆元,仲崇立
    Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions[期刊论文]，RSC Advances，2015-04-02
  • 87. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 88. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 89. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 90. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 91. DOI 许红,童敏曼,吴栋,肖刚,阳庆元,刘大欢,仲崇立
    金属-有机骨架材料用于去除天然气中H 2 S的计算研究[期刊论文]，物理化学学报，2015-01-15
  • 92. DOI Huang; Hongliang,Ban; Yujie,阳庆元,Xiao; yuanlong,Li; Yanshuo,Yang; weisheng,Zhong; Chongli
    Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation[期刊论文]，JOURNAL OF MEMBRANE SCIENCE，2015-01-14
  • 93. DOI 陈玉龙,李子巍,温世鹏,阳庆元,张立群,仲崇立,刘力
    Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)[期刊论文]，JOURNAL OF CHEMICAL PHYSICS，2014-09-14
  • 94. DOI 麻沁甜,肖远龙,童敏曼,李正杰,阳庆元,刘大欢,仲崇立
    热力学和计算化学在纳微结构材料构效关系研究与设计中的应用[期刊论文]，中国科学:化学，2014-06-20
  • 95. DOI 王可可,李亮莎,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    铪金属-有机骨架材料的孔尺寸调控及其吸附性能[期刊论文]，化工学报，2014-05-15
  • 96. DOI 应允攀,曾凡平,吴平易,阳庆元,刘大欢,兰玲,王少华,张轶,仲崇立
    溶剂化效应对金属-有机骨架材料界面微环境催化性能的影响[期刊论文]，化工学报，2014-01-10
  • 97. DOI 薄晓帆,吴平易,刘大欢,阳庆元,麻沁甜,兰玲,王少华,张轶,仲崇立
    负载金属的ZIF-8催化活性的计算化学研究[期刊论文]，化工学报，2014-01-10
  • 98. DOI 李亮莎,王可可,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    高稳定铪金属-有机骨架材料的合成及二氧化碳捕获性能[期刊论文]，化工学报，2014-01-10
  • 99. DOI 陈玉龙,刘力,阳庆元,温世鹏,张立群,仲崇立
    Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow[期刊论文]，LANGMUIR，2013-11-12
[+][-]2021年
  • 1. DOI 张占军,刘其朋,Dashu Pan,Yubing Xue,Xiaojuan Liu,Jing Zhao,Yinggen Ouyang,丁晓帆,肖松涛,阳庆元
    Formation of a PVP-protected C/UO2/Pt catalyst in a direct ethanol fuel cell[期刊论文]，RSC Advances，2023-05-26
  • 2. DOI 陈兴正,Gan Li,Songtao Xiao,Wenjuan Xue,Xudong Zhao,阳庆元
    Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen- Rich Ion Traps Based on a Meta-Organic Framework[期刊论文]，ACS Applied Materials & Interfaces，2023-05-09
  • 3. DOI 杨金才,Tong, Minman,Han, Guopeng,常苗,颜同安,应允攀,阳庆元,刘大欢
    Solubility-Boosted Molecular Sieving-Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites[期刊论文]，Advanced Functional Materials，2023-04-11
  • 4. DOI 丁晓帆,肖松涛,王婷,曾祖操,赵旭东,阳庆元
    Stability of metal-organic frameworks towards Beta-ray irradiation: Role of organic groups[期刊论文]，MICROPOROUS AND MESOPOROUS MATERIALS，2023-03-08
  • 5. DOI 阳庆元,张心怡,冯璇,刘志平,刘清雅
    学生多元化角色培养：化工热力学融合式教学模式改革与实践[期刊论文]，化工高等教育，2023-03-07
  • 6. DOI 王周君,刘大欢,刘晓林,丁文明,阳庆元
    化工专业课程的思政建设探索与实践——以化工工艺学为例[期刊论文]，化工高等教育，2022-12-31
  • 7. DOI 颜同安,毕志远,刘大欢,张晓楠,卢罡,阳庆元
    A Self-Evolutionary Methodology for Reverse Design of Novel MOFs[期刊论文]，Journal of Physical Chemistry A，2022-11-07
  • 8. DOI Huifang Zhao,Ting Wang,刘大欢,阳庆元
    Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept[期刊论文]，CrystEngComm，2022-10-27
  • 9. DOI 赵英杰,Tang, Wen-Qi,王晓伟,赵慧芳,Gu, Zhi-Yuan,阳庆元,刘大欢
    Isomer recognition by dynamic guest-adaptive ligand rotation in a metal-organic framework with local flexibility[期刊论文]，CHEMICAL SCIENCE，2022-10-19
  • 10. DOI 陈兴政,Liu, Xiaojuan,Xiao, Songtao,Xue, Wenjuan,Zhao, Xudong,阳庆元
    A β-ray irradiation resistant MOF-based trap for efficient capture of Th(IV) ion[期刊论文]，Separation and Purification Technology，2022-09-15
  • 11. DOI 任嘉豪,Zeng, Wenjiang,陈艳玲,Fu, Xiaolong,阳庆元
    In silico screening and experimental study of anion-pillared metal-organic frameworks for hydrogen isotope separation[期刊论文]，Separation and Purification Technology，2022-08-15
  • 12. DOI 郭彭涛,陈艳玲,常苗,李雨潇,阳庆元,刘大欢
    A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N(2 )Mixtures[期刊论文]，JOURNAL OF CHEMICAL AND ENGINEERING DATA，2022-07-14
  • 13. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2022-07-01
  • 14. DOI 陈艳玲,白星阳,刘大欢,Fu, Xiaolong,阳庆元
    High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes[期刊论文]，ACS Applied Materials & Interfaces，2022-05-23
  • 15. DOI 顾兴平,Han, Guopeng,阳庆元,刘大欢
    Confinement-Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release[期刊论文]，ADVANCED MATERIALS INTERFACES，2022-05-01
  • 16. DOI 王飞,毕志远,丁理峰,阳庆元
    Large-scale computational screening of metal–organic frameworks for D2/H2 separation[期刊论文]，Chinese Journal of Chemical Engineering，2022-04-10
  • 17. DOI Chen, Chunying,Mo, Qijie,Fu, Jia,阳庆元,Zhang, Li,Su, Cheng-Yong
    PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)-Porphyrin-Based Metal-Organic Framework[期刊论文]，ACS Catalysis，2022-03-18
  • 18. DOI 颜同安,Tong, Minman,阳庆元,刘大欢,Guo, Yandong,Zhong, Chongli
    Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites[期刊论文]，Chinese Journal of Chemical Engineering，2022-02-01
  • 19. DOI 常苗,王飞,魏雁,阳庆元,王洁欣,刘大欢,陈建峰
    Separation of CH4/N2 by an ultra-stable metal–organic framework with the highest breakthrough selectivity[期刊论文]，AIChE Journal，2022-01-01
  • 20. DOI 常苗,任嘉豪,魏雁,王洁欣,阳庆元,刘大欢,陈建峰
    A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-15
  • 21. DOI Wang, Shao-Min,王飞,Dong, Yong-Li,Shivanna, Mohana,Dong, Qiubing,Mu, Xuan-Tong,Duan, Jingui,阳庆元,Zaworotko, Michael J.,Yang, Qing-Yuan
    Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-01
  • 22. DOI 赖欣,卢罡,王磊,毕志远,阳庆元,俞度立
    基于ANN的新型MOFs性能预测[期刊论文]，计算机系统应用，2021-09-15
  • 23. DOI 颜同安,刘大欢,阳庆元,仲崇立
    Screening and Design of COF-Based Mixed-Matrix Membrane for CH4/N2 Separation[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-09-05
  • 24. DOI 刘畅飞,刘瑶瑶,向中华,刘大欢,阳庆元
    Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-08-04
  • 25. DOI 赖欣,杨培松,王坤峰,阳庆元,俞度立
    MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks[期刊论文]，MOLECULAR INFORMATICS，2021-08-01
  • 26. DOI 任嘉豪,常苗,Zeng, Wenjiang,Xia, Yuanhua,刘大欢,Maurin, Guillaume,阳庆元
    Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture[期刊论文]，Chemistry of Materials，2021-07-13
  • 27. DOI Wang, Ying,Wang, Guanyu,Liu, Yuan,Zheng, Baishu,Wang, Zhaoxu,阳庆元
    Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening[期刊论文]，ACS SUSTAINABLE CHEMISTRY & ENGINEERING，2021-07-05
  • 28. DOI 阳庆元,车羿臻,刘志平,陈晓春
    化工热力学基本关系式的教学方法改革与实践[期刊论文]，化工高等教育，2021-06-30
  • 29. DOI 杨培松,张欢,赖欣,王坤峰,阳庆元,俞度立
    Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning[期刊论文]，ACS Omega，2021-06-25
  • 30. DOI 王亮亮,Sun, Weizhen,阳庆元
    Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations[期刊论文]，ENERGY & FUELS，2021-06-17
  • 31. DOI 王同阁,常苗,颜同安,Ying, Yunpan,阳庆元,刘大欢
    Calcium-Based Metal-Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-04-28
  • 32. DOI 张欢,杨培松,俞度立,王坤峰,阳庆元
    Prediction of methane storage in covalent organic frameworks using big-data-mining approach[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-03-17
  • 33. DOI 常苗,任嘉豪,阳庆元,刘大欢
    A robust calcium-based microporous metal-organic framework for efficient CH4/N-2 separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2021-03-15
  • 34. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2021-01-12
  • 35. DOI 王莹,郑柏树,王刘盛,汪冠宇,曾文江,汪朝旭,阳庆元
    锆基金属-有机骨架材料分离放射性气体Rn的计算筛选研究[期刊论文]，化工学报，2021-01-06
  • 36. DOI Han, Guopeng,Liu, Changfei,阳庆元,刘大欢,仲崇立
    Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-12-01
  • 37. DOI 阳庆元,Yuan Liu,Zan Zhan,Fengxiang Zhou,Zhaoxu Wang,Baishu Zheng,Tian Lu
    Probing the halogen bond donation ability of multivalent At-center in AtXn (X=Cl, Br, I; n=1, 3, 5)...H2O/H2S complexes[期刊论文]，and Theoretical Chemistry，2020-11-13
  • 38. DOI Ting Wang,Huifang Zhao,Xudong Zhao,阳庆元,刘大欢
    Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal-Organic Framework to Remove the Toxic Bromine Ions[期刊论文]，Journal of Chemical & Engnieering Data，2020-11-02
  • 39. DOI Miao Chang,Jiahao Ren,阳庆元,刘大欢
    A Robust Calcium-Based Microporous Metal-Organic Framework for Efficient CH4/N2 Separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-10-05
  • 40. DOI 刘磊,王磊,刘大欢,阳庆元,仲崇立
    High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation[期刊论文]，GREEN ENERGY & ENVIRONMENT，2020-07-01
  • 41. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,阳庆元,Zheng, Baishu
    Probing Au center dot center dot center dot O and Au center dot center dot center dot P regium bonding interaction in AuX (X = F, Cl, Br)center dot center dot center dot RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2020-06-01
  • 42. DOI Liao, Junxiong,Zeng, Wenjiang,Zheng, Baishu,Cao, Xiyang,Wang, Zhaoxu,Wang, Guanyu,阳庆元
    Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal-organic framework[期刊论文]，INORGANIC CHEMISTRY FRONTIERS，2020-05-07
  • 43. DOI Cao, Dawei,任嘉豪,Gong, Yu,Huang, Hongliang,Fu, Xiaolong,常苗,Chen, Xiaojun,Xiao, Chengjian,刘大欢,阳庆元,Zhong, Chongli,Peng, Shuming,Zhang, Zhengjun
    Quantum sieving of H-2/D-2 in MOFs: a study on the correlation between the separation performance, pore size and temperature[期刊论文]，JOURNAL OF MATERIALS CHEMISTRY A，2020-04-07
  • 44. DOI Fengxiang Zhou,Yuan Liu,Zhaoxu Wang,阳庆元,Baishu Zheng
    Probing Au...O and Au...P regium bonding interaction in AuX (X=F, Cl, Br)...RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，Computational and Theoretical Chemistry，2020-03-27
  • 45. DOI Lei Liu,Lei Wang,刘大欢,阳庆元,仲崇立
    High-Throughput computational screening of Cu-MOFs with open metal site for efficient C2H2/C2H4 separation[期刊论文]，Green Energy & Environment，2020-03-06
  • 46. DOI Huang, Lili,Liu, Jianwei,Liu, Lei,阳庆元,马志勇,Jia, Xinru
    A D-A-D' type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism[期刊论文]，DYES AND PIGMENTS，2020-02-01
  • 47. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    Study on efficient separation of SF6/N2 mixture using a hydrothermally stable metal-organic framework[期刊论文]，Huagong Xuebao/CIESC Journal，2020-01-01
  • 48. DOI Zhou, Fengxiang,Zheng, Baishu,刘大欢,Wang, Zhaoxu,阳庆元
    Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation[期刊论文]，ACS APPLIED MATERIALS & INTERFACES，2019-12-18
  • 49. DOI Huang, Lili,Liu, Lei,Li, Xianjiang,Hu, Huan,Chen, Mingxing,阳庆元,马志勇,Jia, Xinru
    Crystal-State Photochromism and Dual-Mode Mechanochromism of an Organic Molecule with Fluorescence, Room-Temperature Phosphorescence, and Delayed Fluorescence[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-11-11
  • 50. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    水热稳定金属-有机骨架材料用于高效分离SF6/N2混合物的研究[期刊论文]，化工学报，2019-10-22
  • 51. DOI Miao Chang,Yingjie Zhao,阳庆元,刘大欢
    Microporous Metal-Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture[期刊论文]，ACS Omega，2019-08-28
  • 52. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,Lu, Tian,阳庆元,Liu, Yi,Zheng, Baishu
    A new type of halogen bond involving multivalent astatine: an ab initio study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-07-28
  • 53. DOI Tongan Yan,Youshi Lan,刘大欢,阳庆元,仲崇立
    Large-Scale Screening and Design of Metal-Organic Frameworks for CH4/N2 Separation[期刊论文]，Chemistry an Asian Journal，2019-07-20
  • 54. DOI 王磊,方桂英,阳庆元
    金属-有机骨架材料CO2捕获性能的大规模计算筛选[期刊论文]，化工学报，2019-03-05
  • 55. DOI Lan, Youshi,Han, Xianghao,Tong, Minman,Huang, Hongliang,阳庆元,刘大欢,Zhao, Xin,仲崇立
    Materials genomics methods for high-throughput construction of COFs and targeted synthesis[期刊论文]，NATURE COMMUNICATIONS，2018-12-10
  • 56. DOI Ce Zhang,Lei Wang,Guillaume Maurin,阳庆元
    In Silico Screening of MOFs with Open Copper Sites for C2H2/CO2 Separation[期刊论文]，AIChE Journal，2018-09-04
  • 57. DOI Zhang, Ce,Lan, Youshi,Guo, Xiangyu,阳庆元,仲崇立
    Materials genomics-guided ab initio screening of MOFs with open copper sites for acetylene storage[期刊论文]，AICHE JOURNAL，2018-04-01
  • 58. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 59. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 60. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 61. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 62. DOI 郭翔宇,刘大欢,韩彤彤,黄宏亮,阳庆元,仲崇立
    Preparation of Thin Film Nanocomposite Membranes with Surface Modified MOF for High Flux Organic Solvent Nanofiltration[期刊论文]，AICHE JOURNAL，2017-04-01
  • 63. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 64. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 65. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 66. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 67. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 68. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 69. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 70. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 71. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 72. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 73. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 74. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 75. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 76. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 77. DOI 马京,张玉田,阳庆元,刘大欢,仲崇立
    功能化的金属有机纳米多孔分子笼混合基质膜高效分离CO 2 与CH 4[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 78. DOI 应允攀,兰友世,刘大欢,阳庆元,仲崇立
    ZIF-7/PDMS混合基质膜用于丙酮回收[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 79. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 80. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 81. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 82. DOI 侯丹丹,刘大欢,阳庆元,仲崇立
    金属-有机骨架材料在气体膜分离中的研究进展[期刊论文]，化工进展，2015-08-05
  • 83. DOI 阳庆元,郭翔宇,刘大欢,仲崇立
    纳微结构材料构效关系的计算方法研究[期刊论文]，北京化工大学学报自然科学版，2015-08-01
  • 84. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 85. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 86. DOI Wang; Yong,Yang; Jianfeng,Li; Zhengjie,Zhang; Zhuoming,Li; Jinping,阳庆元,仲崇立
    Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions[期刊论文]，RSC Advances，2015-04-02
  • 87. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 88. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 89. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 90. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 91. DOI 许红,童敏曼,吴栋,肖刚,阳庆元,刘大欢,仲崇立
    金属-有机骨架材料用于去除天然气中H 2 S的计算研究[期刊论文]，物理化学学报，2015-01-15
  • 92. DOI Huang; Hongliang,Ban; Yujie,阳庆元,Xiao; yuanlong,Li; Yanshuo,Yang; weisheng,Zhong; Chongli
    Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation[期刊论文]，JOURNAL OF MEMBRANE SCIENCE，2015-01-14
  • 93. DOI 陈玉龙,李子巍,温世鹏,阳庆元,张立群,仲崇立,刘力
    Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)[期刊论文]，JOURNAL OF CHEMICAL PHYSICS，2014-09-14
  • 94. DOI 麻沁甜,肖远龙,童敏曼,李正杰,阳庆元,刘大欢,仲崇立
    热力学和计算化学在纳微结构材料构效关系研究与设计中的应用[期刊论文]，中国科学:化学，2014-06-20
  • 95. DOI 王可可,李亮莎,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    铪金属-有机骨架材料的孔尺寸调控及其吸附性能[期刊论文]，化工学报，2014-05-15
  • 96. DOI 应允攀,曾凡平,吴平易,阳庆元,刘大欢,兰玲,王少华,张轶,仲崇立
    溶剂化效应对金属-有机骨架材料界面微环境催化性能的影响[期刊论文]，化工学报，2014-01-10
  • 97. DOI 薄晓帆,吴平易,刘大欢,阳庆元,麻沁甜,兰玲,王少华,张轶,仲崇立
    负载金属的ZIF-8催化活性的计算化学研究[期刊论文]，化工学报，2014-01-10
  • 98. DOI 李亮莎,王可可,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    高稳定铪金属-有机骨架材料的合成及二氧化碳捕获性能[期刊论文]，化工学报，2014-01-10
  • 99. DOI 陈玉龙,刘力,阳庆元,温世鹏,张立群,仲崇立
    Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow[期刊论文]，LANGMUIR，2013-11-12
[+][-]2020年
  • 1. DOI 张占军,刘其朋,Dashu Pan,Yubing Xue,Xiaojuan Liu,Jing Zhao,Yinggen Ouyang,丁晓帆,肖松涛,阳庆元
    Formation of a PVP-protected C/UO2/Pt catalyst in a direct ethanol fuel cell[期刊论文]，RSC Advances，2023-05-26
  • 2. DOI 陈兴正,Gan Li,Songtao Xiao,Wenjuan Xue,Xudong Zhao,阳庆元
    Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen- Rich Ion Traps Based on a Meta-Organic Framework[期刊论文]，ACS Applied Materials & Interfaces，2023-05-09
  • 3. DOI 杨金才,Tong, Minman,Han, Guopeng,常苗,颜同安,应允攀,阳庆元,刘大欢
    Solubility-Boosted Molecular Sieving-Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites[期刊论文]，Advanced Functional Materials，2023-04-11
  • 4. DOI 丁晓帆,肖松涛,王婷,曾祖操,赵旭东,阳庆元
    Stability of metal-organic frameworks towards Beta-ray irradiation: Role of organic groups[期刊论文]，MICROPOROUS AND MESOPOROUS MATERIALS，2023-03-08
  • 5. DOI 阳庆元,张心怡,冯璇,刘志平,刘清雅
    学生多元化角色培养：化工热力学融合式教学模式改革与实践[期刊论文]，化工高等教育，2023-03-07
  • 6. DOI 王周君,刘大欢,刘晓林,丁文明,阳庆元
    化工专业课程的思政建设探索与实践——以化工工艺学为例[期刊论文]，化工高等教育，2022-12-31
  • 7. DOI 颜同安,毕志远,刘大欢,张晓楠,卢罡,阳庆元
    A Self-Evolutionary Methodology for Reverse Design of Novel MOFs[期刊论文]，Journal of Physical Chemistry A，2022-11-07
  • 8. DOI Huifang Zhao,Ting Wang,刘大欢,阳庆元
    Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept[期刊论文]，CrystEngComm，2022-10-27
  • 9. DOI 赵英杰,Tang, Wen-Qi,王晓伟,赵慧芳,Gu, Zhi-Yuan,阳庆元,刘大欢
    Isomer recognition by dynamic guest-adaptive ligand rotation in a metal-organic framework with local flexibility[期刊论文]，CHEMICAL SCIENCE，2022-10-19
  • 10. DOI 陈兴政,Liu, Xiaojuan,Xiao, Songtao,Xue, Wenjuan,Zhao, Xudong,阳庆元
    A β-ray irradiation resistant MOF-based trap for efficient capture of Th(IV) ion[期刊论文]，Separation and Purification Technology，2022-09-15
  • 11. DOI 任嘉豪,Zeng, Wenjiang,陈艳玲,Fu, Xiaolong,阳庆元
    In silico screening and experimental study of anion-pillared metal-organic frameworks for hydrogen isotope separation[期刊论文]，Separation and Purification Technology，2022-08-15
  • 12. DOI 郭彭涛,陈艳玲,常苗,李雨潇,阳庆元,刘大欢
    A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N(2 )Mixtures[期刊论文]，JOURNAL OF CHEMICAL AND ENGINEERING DATA，2022-07-14
  • 13. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2022-07-01
  • 14. DOI 陈艳玲,白星阳,刘大欢,Fu, Xiaolong,阳庆元
    High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes[期刊论文]，ACS Applied Materials & Interfaces，2022-05-23
  • 15. DOI 顾兴平,Han, Guopeng,阳庆元,刘大欢
    Confinement-Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release[期刊论文]，ADVANCED MATERIALS INTERFACES，2022-05-01
  • 16. DOI 王飞,毕志远,丁理峰,阳庆元
    Large-scale computational screening of metal–organic frameworks for D2/H2 separation[期刊论文]，Chinese Journal of Chemical Engineering，2022-04-10
  • 17. DOI Chen, Chunying,Mo, Qijie,Fu, Jia,阳庆元,Zhang, Li,Su, Cheng-Yong
    PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)-Porphyrin-Based Metal-Organic Framework[期刊论文]，ACS Catalysis，2022-03-18
  • 18. DOI 颜同安,Tong, Minman,阳庆元,刘大欢,Guo, Yandong,Zhong, Chongli
    Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites[期刊论文]，Chinese Journal of Chemical Engineering，2022-02-01
  • 19. DOI 常苗,王飞,魏雁,阳庆元,王洁欣,刘大欢,陈建峰
    Separation of CH4/N2 by an ultra-stable metal–organic framework with the highest breakthrough selectivity[期刊论文]，AIChE Journal，2022-01-01
  • 20. DOI 常苗,任嘉豪,魏雁,王洁欣,阳庆元,刘大欢,陈建峰
    A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-15
  • 21. DOI Wang, Shao-Min,王飞,Dong, Yong-Li,Shivanna, Mohana,Dong, Qiubing,Mu, Xuan-Tong,Duan, Jingui,阳庆元,Zaworotko, Michael J.,Yang, Qing-Yuan
    Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-01
  • 22. DOI 赖欣,卢罡,王磊,毕志远,阳庆元,俞度立
    基于ANN的新型MOFs性能预测[期刊论文]，计算机系统应用，2021-09-15
  • 23. DOI 颜同安,刘大欢,阳庆元,仲崇立
    Screening and Design of COF-Based Mixed-Matrix Membrane for CH4/N2 Separation[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-09-05
  • 24. DOI 刘畅飞,刘瑶瑶,向中华,刘大欢,阳庆元
    Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-08-04
  • 25. DOI 赖欣,杨培松,王坤峰,阳庆元,俞度立
    MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks[期刊论文]，MOLECULAR INFORMATICS，2021-08-01
  • 26. DOI 任嘉豪,常苗,Zeng, Wenjiang,Xia, Yuanhua,刘大欢,Maurin, Guillaume,阳庆元
    Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture[期刊论文]，Chemistry of Materials，2021-07-13
  • 27. DOI Wang, Ying,Wang, Guanyu,Liu, Yuan,Zheng, Baishu,Wang, Zhaoxu,阳庆元
    Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening[期刊论文]，ACS SUSTAINABLE CHEMISTRY & ENGINEERING，2021-07-05
  • 28. DOI 阳庆元,车羿臻,刘志平,陈晓春
    化工热力学基本关系式的教学方法改革与实践[期刊论文]，化工高等教育，2021-06-30
  • 29. DOI 杨培松,张欢,赖欣,王坤峰,阳庆元,俞度立
    Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning[期刊论文]，ACS Omega，2021-06-25
  • 30. DOI 王亮亮,Sun, Weizhen,阳庆元
    Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations[期刊论文]，ENERGY & FUELS，2021-06-17
  • 31. DOI 王同阁,常苗,颜同安,Ying, Yunpan,阳庆元,刘大欢
    Calcium-Based Metal-Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-04-28
  • 32. DOI 张欢,杨培松,俞度立,王坤峰,阳庆元
    Prediction of methane storage in covalent organic frameworks using big-data-mining approach[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-03-17
  • 33. DOI 常苗,任嘉豪,阳庆元,刘大欢
    A robust calcium-based microporous metal-organic framework for efficient CH4/N-2 separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2021-03-15
  • 34. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2021-01-12
  • 35. DOI 王莹,郑柏树,王刘盛,汪冠宇,曾文江,汪朝旭,阳庆元
    锆基金属-有机骨架材料分离放射性气体Rn的计算筛选研究[期刊论文]，化工学报，2021-01-06
  • 36. DOI Han, Guopeng,Liu, Changfei,阳庆元,刘大欢,仲崇立
    Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-12-01
  • 37. DOI 阳庆元,Yuan Liu,Zan Zhan,Fengxiang Zhou,Zhaoxu Wang,Baishu Zheng,Tian Lu
    Probing the halogen bond donation ability of multivalent At-center in AtXn (X=Cl, Br, I; n=1, 3, 5)...H2O/H2S complexes[期刊论文]，and Theoretical Chemistry，2020-11-13
  • 38. DOI Ting Wang,Huifang Zhao,Xudong Zhao,阳庆元,刘大欢
    Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal-Organic Framework to Remove the Toxic Bromine Ions[期刊论文]，Journal of Chemical & Engnieering Data，2020-11-02
  • 39. DOI Miao Chang,Jiahao Ren,阳庆元,刘大欢
    A Robust Calcium-Based Microporous Metal-Organic Framework for Efficient CH4/N2 Separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-10-05
  • 40. DOI 刘磊,王磊,刘大欢,阳庆元,仲崇立
    High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation[期刊论文]，GREEN ENERGY & ENVIRONMENT，2020-07-01
  • 41. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,阳庆元,Zheng, Baishu
    Probing Au center dot center dot center dot O and Au center dot center dot center dot P regium bonding interaction in AuX (X = F, Cl, Br)center dot center dot center dot RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2020-06-01
  • 42. DOI Liao, Junxiong,Zeng, Wenjiang,Zheng, Baishu,Cao, Xiyang,Wang, Zhaoxu,Wang, Guanyu,阳庆元
    Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal-organic framework[期刊论文]，INORGANIC CHEMISTRY FRONTIERS，2020-05-07
  • 43. DOI Cao, Dawei,任嘉豪,Gong, Yu,Huang, Hongliang,Fu, Xiaolong,常苗,Chen, Xiaojun,Xiao, Chengjian,刘大欢,阳庆元,Zhong, Chongli,Peng, Shuming,Zhang, Zhengjun
    Quantum sieving of H-2/D-2 in MOFs: a study on the correlation between the separation performance, pore size and temperature[期刊论文]，JOURNAL OF MATERIALS CHEMISTRY A，2020-04-07
  • 44. DOI Fengxiang Zhou,Yuan Liu,Zhaoxu Wang,阳庆元,Baishu Zheng
    Probing Au...O and Au...P regium bonding interaction in AuX (X=F, Cl, Br)...RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，Computational and Theoretical Chemistry，2020-03-27
  • 45. DOI Lei Liu,Lei Wang,刘大欢,阳庆元,仲崇立
    High-Throughput computational screening of Cu-MOFs with open metal site for efficient C2H2/C2H4 separation[期刊论文]，Green Energy & Environment，2020-03-06
  • 46. DOI Huang, Lili,Liu, Jianwei,Liu, Lei,阳庆元,马志勇,Jia, Xinru
    A D-A-D' type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism[期刊论文]，DYES AND PIGMENTS，2020-02-01
  • 47. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    Study on efficient separation of SF6/N2 mixture using a hydrothermally stable metal-organic framework[期刊论文]，Huagong Xuebao/CIESC Journal，2020-01-01
  • 48. DOI Zhou, Fengxiang,Zheng, Baishu,刘大欢,Wang, Zhaoxu,阳庆元
    Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation[期刊论文]，ACS APPLIED MATERIALS & INTERFACES，2019-12-18
  • 49. DOI Huang, Lili,Liu, Lei,Li, Xianjiang,Hu, Huan,Chen, Mingxing,阳庆元,马志勇,Jia, Xinru
    Crystal-State Photochromism and Dual-Mode Mechanochromism of an Organic Molecule with Fluorescence, Room-Temperature Phosphorescence, and Delayed Fluorescence[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-11-11
  • 50. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    水热稳定金属-有机骨架材料用于高效分离SF6/N2混合物的研究[期刊论文]，化工学报，2019-10-22
  • 51. DOI Miao Chang,Yingjie Zhao,阳庆元,刘大欢
    Microporous Metal-Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture[期刊论文]，ACS Omega，2019-08-28
  • 52. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,Lu, Tian,阳庆元,Liu, Yi,Zheng, Baishu
    A new type of halogen bond involving multivalent astatine: an ab initio study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-07-28
  • 53. DOI Tongan Yan,Youshi Lan,刘大欢,阳庆元,仲崇立
    Large-Scale Screening and Design of Metal-Organic Frameworks for CH4/N2 Separation[期刊论文]，Chemistry an Asian Journal，2019-07-20
  • 54. DOI 王磊,方桂英,阳庆元
    金属-有机骨架材料CO2捕获性能的大规模计算筛选[期刊论文]，化工学报，2019-03-05
  • 55. DOI Lan, Youshi,Han, Xianghao,Tong, Minman,Huang, Hongliang,阳庆元,刘大欢,Zhao, Xin,仲崇立
    Materials genomics methods for high-throughput construction of COFs and targeted synthesis[期刊论文]，NATURE COMMUNICATIONS，2018-12-10
  • 56. DOI Ce Zhang,Lei Wang,Guillaume Maurin,阳庆元
    In Silico Screening of MOFs with Open Copper Sites for C2H2/CO2 Separation[期刊论文]，AIChE Journal，2018-09-04
  • 57. DOI Zhang, Ce,Lan, Youshi,Guo, Xiangyu,阳庆元,仲崇立
    Materials genomics-guided ab initio screening of MOFs with open copper sites for acetylene storage[期刊论文]，AICHE JOURNAL，2018-04-01
  • 58. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 59. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 60. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 61. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 62. DOI 郭翔宇,刘大欢,韩彤彤,黄宏亮,阳庆元,仲崇立
    Preparation of Thin Film Nanocomposite Membranes with Surface Modified MOF for High Flux Organic Solvent Nanofiltration[期刊论文]，AICHE JOURNAL，2017-04-01
  • 63. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 64. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 65. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 66. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 67. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 68. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 69. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 70. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 71. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 72. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 73. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 74. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 75. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 76. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 77. DOI 马京,张玉田,阳庆元,刘大欢,仲崇立
    功能化的金属有机纳米多孔分子笼混合基质膜高效分离CO 2 与CH 4[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 78. DOI 应允攀,兰友世,刘大欢,阳庆元,仲崇立
    ZIF-7/PDMS混合基质膜用于丙酮回收[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 79. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 80. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 81. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 82. DOI 侯丹丹,刘大欢,阳庆元,仲崇立
    金属-有机骨架材料在气体膜分离中的研究进展[期刊论文]，化工进展，2015-08-05
  • 83. DOI 阳庆元,郭翔宇,刘大欢,仲崇立
    纳微结构材料构效关系的计算方法研究[期刊论文]，北京化工大学学报自然科学版，2015-08-01
  • 84. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 85. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 86. DOI Wang; Yong,Yang; Jianfeng,Li; Zhengjie,Zhang; Zhuoming,Li; Jinping,阳庆元,仲崇立
    Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions[期刊论文]，RSC Advances，2015-04-02
  • 87. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 88. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 89. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 90. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 91. DOI 许红,童敏曼,吴栋,肖刚,阳庆元,刘大欢,仲崇立
    金属-有机骨架材料用于去除天然气中H 2 S的计算研究[期刊论文]，物理化学学报，2015-01-15
  • 92. DOI Huang; Hongliang,Ban; Yujie,阳庆元,Xiao; yuanlong,Li; Yanshuo,Yang; weisheng,Zhong; Chongli
    Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation[期刊论文]，JOURNAL OF MEMBRANE SCIENCE，2015-01-14
  • 93. DOI 陈玉龙,李子巍,温世鹏,阳庆元,张立群,仲崇立,刘力
    Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)[期刊论文]，JOURNAL OF CHEMICAL PHYSICS，2014-09-14
  • 94. DOI 麻沁甜,肖远龙,童敏曼,李正杰,阳庆元,刘大欢,仲崇立
    热力学和计算化学在纳微结构材料构效关系研究与设计中的应用[期刊论文]，中国科学:化学，2014-06-20
  • 95. DOI 王可可,李亮莎,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    铪金属-有机骨架材料的孔尺寸调控及其吸附性能[期刊论文]，化工学报，2014-05-15
  • 96. DOI 应允攀,曾凡平,吴平易,阳庆元,刘大欢,兰玲,王少华,张轶,仲崇立
    溶剂化效应对金属-有机骨架材料界面微环境催化性能的影响[期刊论文]，化工学报，2014-01-10
  • 97. DOI 薄晓帆,吴平易,刘大欢,阳庆元,麻沁甜,兰玲,王少华,张轶,仲崇立
    负载金属的ZIF-8催化活性的计算化学研究[期刊论文]，化工学报，2014-01-10
  • 98. DOI 李亮莎,王可可,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    高稳定铪金属-有机骨架材料的合成及二氧化碳捕获性能[期刊论文]，化工学报，2014-01-10
  • 99. DOI 陈玉龙,刘力,阳庆元,温世鹏,张立群,仲崇立
    Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow[期刊论文]，LANGMUIR，2013-11-12
[+][-]2020年之前
  • 1. DOI 张占军,刘其朋,Dashu Pan,Yubing Xue,Xiaojuan Liu,Jing Zhao,Yinggen Ouyang,丁晓帆,肖松涛,阳庆元
    Formation of a PVP-protected C/UO2/Pt catalyst in a direct ethanol fuel cell[期刊论文]，RSC Advances，2023-05-26
  • 2. DOI 陈兴正,Gan Li,Songtao Xiao,Wenjuan Xue,Xudong Zhao,阳庆元
    Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen- Rich Ion Traps Based on a Meta-Organic Framework[期刊论文]，ACS Applied Materials & Interfaces，2023-05-09
  • 3. DOI 杨金才,Tong, Minman,Han, Guopeng,常苗,颜同安,应允攀,阳庆元,刘大欢
    Solubility-Boosted Molecular Sieving-Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites[期刊论文]，Advanced Functional Materials，2023-04-11
  • 4. DOI 丁晓帆,肖松涛,王婷,曾祖操,赵旭东,阳庆元
    Stability of metal-organic frameworks towards Beta-ray irradiation: Role of organic groups[期刊论文]，MICROPOROUS AND MESOPOROUS MATERIALS，2023-03-08
  • 5. DOI 阳庆元,张心怡,冯璇,刘志平,刘清雅
    学生多元化角色培养：化工热力学融合式教学模式改革与实践[期刊论文]，化工高等教育，2023-03-07
  • 6. DOI 王周君,刘大欢,刘晓林,丁文明,阳庆元
    化工专业课程的思政建设探索与实践——以化工工艺学为例[期刊论文]，化工高等教育，2022-12-31
  • 7. DOI 颜同安,毕志远,刘大欢,张晓楠,卢罡,阳庆元
    A Self-Evolutionary Methodology for Reverse Design of Novel MOFs[期刊论文]，Journal of Physical Chemistry A，2022-11-07
  • 8. DOI Huifang Zhao,Ting Wang,刘大欢,阳庆元
    Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept[期刊论文]，CrystEngComm，2022-10-27
  • 9. DOI 赵英杰,Tang, Wen-Qi,王晓伟,赵慧芳,Gu, Zhi-Yuan,阳庆元,刘大欢
    Isomer recognition by dynamic guest-adaptive ligand rotation in a metal-organic framework with local flexibility[期刊论文]，CHEMICAL SCIENCE，2022-10-19
  • 10. DOI 陈兴政,Liu, Xiaojuan,Xiao, Songtao,Xue, Wenjuan,Zhao, Xudong,阳庆元
    A β-ray irradiation resistant MOF-based trap for efficient capture of Th(IV) ion[期刊论文]，Separation and Purification Technology，2022-09-15
  • 11. DOI 任嘉豪,Zeng, Wenjiang,陈艳玲,Fu, Xiaolong,阳庆元
    In silico screening and experimental study of anion-pillared metal-organic frameworks for hydrogen isotope separation[期刊论文]，Separation and Purification Technology，2022-08-15
  • 12. DOI 郭彭涛,陈艳玲,常苗,李雨潇,阳庆元,刘大欢
    A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N(2 )Mixtures[期刊论文]，JOURNAL OF CHEMICAL AND ENGINEERING DATA，2022-07-14
  • 13. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2022-07-01
  • 14. DOI 陈艳玲,白星阳,刘大欢,Fu, Xiaolong,阳庆元
    High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes[期刊论文]，ACS Applied Materials & Interfaces，2022-05-23
  • 15. DOI 顾兴平,Han, Guopeng,阳庆元,刘大欢
    Confinement-Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release[期刊论文]，ADVANCED MATERIALS INTERFACES，2022-05-01
  • 16. DOI 王飞,毕志远,丁理峰,阳庆元
    Large-scale computational screening of metal–organic frameworks for D2/H2 separation[期刊论文]，Chinese Journal of Chemical Engineering，2022-04-10
  • 17. DOI Chen, Chunying,Mo, Qijie,Fu, Jia,阳庆元,Zhang, Li,Su, Cheng-Yong
    PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)-Porphyrin-Based Metal-Organic Framework[期刊论文]，ACS Catalysis，2022-03-18
  • 18. DOI 颜同安,Tong, Minman,阳庆元,刘大欢,Guo, Yandong,Zhong, Chongli
    Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites[期刊论文]，Chinese Journal of Chemical Engineering，2022-02-01
  • 19. DOI 常苗,王飞,魏雁,阳庆元,王洁欣,刘大欢,陈建峰
    Separation of CH4/N2 by an ultra-stable metal–organic framework with the highest breakthrough selectivity[期刊论文]，AIChE Journal，2022-01-01
  • 20. DOI 常苗,任嘉豪,魏雁,王洁欣,阳庆元,刘大欢,陈建峰
    A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-15
  • 21. DOI Wang, Shao-Min,王飞,Dong, Yong-Li,Shivanna, Mohana,Dong, Qiubing,Mu, Xuan-Tong,Duan, Jingui,阳庆元,Zaworotko, Michael J.,Yang, Qing-Yuan
    Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction[期刊论文]，SEPARATION AND PURIFICATION TECHNOLOGY，2021-12-01
  • 22. DOI 赖欣,卢罡,王磊,毕志远,阳庆元,俞度立
    基于ANN的新型MOFs性能预测[期刊论文]，计算机系统应用，2021-09-15
  • 23. DOI 颜同安,刘大欢,阳庆元,仲崇立
    Screening and Design of COF-Based Mixed-Matrix Membrane for CH4/N2 Separation[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-09-05
  • 24. DOI 刘畅飞,刘瑶瑶,向中华,刘大欢,阳庆元
    Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-08-04
  • 25. DOI 赖欣,杨培松,王坤峰,阳庆元,俞度立
    MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks[期刊论文]，MOLECULAR INFORMATICS，2021-08-01
  • 26. DOI 任嘉豪,常苗,Zeng, Wenjiang,Xia, Yuanhua,刘大欢,Maurin, Guillaume,阳庆元
    Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture[期刊论文]，Chemistry of Materials，2021-07-13
  • 27. DOI Wang, Ying,Wang, Guanyu,Liu, Yuan,Zheng, Baishu,Wang, Zhaoxu,阳庆元
    Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening[期刊论文]，ACS SUSTAINABLE CHEMISTRY & ENGINEERING，2021-07-05
  • 28. DOI 阳庆元,车羿臻,刘志平,陈晓春
    化工热力学基本关系式的教学方法改革与实践[期刊论文]，化工高等教育，2021-06-30
  • 29. DOI 杨培松,张欢,赖欣,王坤峰,阳庆元,俞度立
    Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning[期刊论文]，ACS Omega，2021-06-25
  • 30. DOI 王亮亮,Sun, Weizhen,阳庆元
    Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations[期刊论文]，ENERGY & FUELS，2021-06-17
  • 31. DOI 王同阁,常苗,颜同安,Ying, Yunpan,阳庆元,刘大欢
    Calcium-Based Metal-Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2021-04-28
  • 32. DOI 张欢,杨培松,俞度立,王坤峰,阳庆元
    Prediction of methane storage in covalent organic frameworks using big-data-mining approach[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2021-03-17
  • 33. DOI 常苗,任嘉豪,阳庆元,刘大欢
    A robust calcium-based microporous metal-organic framework for efficient CH4/N-2 separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2021-03-15
  • 34. DOI 杨培松,卢罡,阳庆元,刘磊,赖欣,俞度立
    Analyzing acetylene adsorption of metal–organic frameworks based on machine learning[期刊论文]，GREEN ENERGY & ENVIRONMENT，2021-01-12
  • 35. DOI 王莹,郑柏树,王刘盛,汪冠宇,曾文江,汪朝旭,阳庆元
    锆基金属-有机骨架材料分离放射性气体Rn的计算筛选研究[期刊论文]，化工学报，2021-01-06
  • 36. DOI Han, Guopeng,Liu, Changfei,阳庆元,刘大欢,仲崇立
    Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-12-01
  • 37. DOI 阳庆元,Yuan Liu,Zan Zhan,Fengxiang Zhou,Zhaoxu Wang,Baishu Zheng,Tian Lu
    Probing the halogen bond donation ability of multivalent At-center in AtXn (X=Cl, Br, I; n=1, 3, 5)...H2O/H2S complexes[期刊论文]，and Theoretical Chemistry，2020-11-13
  • 38. DOI Ting Wang,Huifang Zhao,Xudong Zhao,阳庆元,刘大欢
    Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal-Organic Framework to Remove the Toxic Bromine Ions[期刊论文]，Journal of Chemical & Engnieering Data，2020-11-02
  • 39. DOI Miao Chang,Jiahao Ren,阳庆元,刘大欢
    A Robust Calcium-Based Microporous Metal-Organic Framework for Efficient CH4/N2 Separation[期刊论文]，CHEMICAL ENGINEERING JOURNAL，2020-10-05
  • 40. DOI 刘磊,王磊,刘大欢,阳庆元,仲崇立
    High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation[期刊论文]，GREEN ENERGY & ENVIRONMENT，2020-07-01
  • 41. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,阳庆元,Zheng, Baishu
    Probing Au center dot center dot center dot O and Au center dot center dot center dot P regium bonding interaction in AuX (X = F, Cl, Br)center dot center dot center dot RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2020-06-01
  • 42. DOI Liao, Junxiong,Zeng, Wenjiang,Zheng, Baishu,Cao, Xiyang,Wang, Zhaoxu,Wang, Guanyu,阳庆元
    Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal-organic framework[期刊论文]，INORGANIC CHEMISTRY FRONTIERS，2020-05-07
  • 43. DOI Cao, Dawei,任嘉豪,Gong, Yu,Huang, Hongliang,Fu, Xiaolong,常苗,Chen, Xiaojun,Xiao, Chengjian,刘大欢,阳庆元,Zhong, Chongli,Peng, Shuming,Zhang, Zhengjun
    Quantum sieving of H-2/D-2 in MOFs: a study on the correlation between the separation performance, pore size and temperature[期刊论文]，JOURNAL OF MATERIALS CHEMISTRY A，2020-04-07
  • 44. DOI Fengxiang Zhou,Yuan Liu,Zhaoxu Wang,阳庆元,Baishu Zheng
    Probing Au...O and Au...P regium bonding interaction in AuX (X=F, Cl, Br)...RPHOH (R = CH3, F, CF3, NH2, CN) complexes[期刊论文]，Computational and Theoretical Chemistry，2020-03-27
  • 45. DOI Lei Liu,Lei Wang,刘大欢,阳庆元,仲崇立
    High-Throughput computational screening of Cu-MOFs with open metal site for efficient C2H2/C2H4 separation[期刊论文]，Green Energy & Environment，2020-03-06
  • 46. DOI Huang, Lili,Liu, Jianwei,Liu, Lei,阳庆元,马志勇,Jia, Xinru
    A D-A-D' type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism[期刊论文]，DYES AND PIGMENTS，2020-02-01
  • 47. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    Study on efficient separation of SF6/N2 mixture using a hydrothermally stable metal-organic framework[期刊论文]，Huagong Xuebao/CIESC Journal，2020-01-01
  • 48. DOI Zhou, Fengxiang,Zheng, Baishu,刘大欢,Wang, Zhaoxu,阳庆元
    Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation[期刊论文]，ACS APPLIED MATERIALS & INTERFACES，2019-12-18
  • 49. DOI Huang, Lili,Liu, Lei,Li, Xianjiang,Hu, Huan,Chen, Mingxing,阳庆元,马志勇,Jia, Xinru
    Crystal-State Photochromism and Dual-Mode Mechanochromism of an Organic Molecule with Fluorescence, Room-Temperature Phosphorescence, and Delayed Fluorescence[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-11-11
  • 50. DOI 常苗,刘磊,阳庆元,刘大欢,仲崇立
    水热稳定金属-有机骨架材料用于高效分离SF6/N2混合物的研究[期刊论文]，化工学报，2019-10-22
  • 51. DOI Miao Chang,Yingjie Zhao,阳庆元,刘大欢
    Microporous Metal-Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture[期刊论文]，ACS Omega，2019-08-28
  • 52. DOI Zhou, Fengxiang,Liu, Yuan,Wang, Zhaoxu,Lu, Tian,阳庆元,Liu, Yi,Zheng, Baishu
    A new type of halogen bond involving multivalent astatine: an ab initio study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-07-28
  • 53. DOI Tongan Yan,Youshi Lan,刘大欢,阳庆元,仲崇立
    Large-Scale Screening and Design of Metal-Organic Frameworks for CH4/N2 Separation[期刊论文]，Chemistry an Asian Journal，2019-07-20
  • 54. DOI 王磊,方桂英,阳庆元
    金属-有机骨架材料CO2捕获性能的大规模计算筛选[期刊论文]，化工学报，2019-03-05
  • 55. DOI Lan, Youshi,Han, Xianghao,Tong, Minman,Huang, Hongliang,阳庆元,刘大欢,Zhao, Xin,仲崇立
    Materials genomics methods for high-throughput construction of COFs and targeted synthesis[期刊论文]，NATURE COMMUNICATIONS，2018-12-10
  • 56. DOI Ce Zhang,Lei Wang,Guillaume Maurin,阳庆元
    In Silico Screening of MOFs with Open Copper Sites for C2H2/CO2 Separation[期刊论文]，AIChE Journal，2018-09-04
  • 57. DOI Zhang, Ce,Lan, Youshi,Guo, Xiangyu,阳庆元,仲崇立
    Materials genomics-guided ab initio screening of MOFs with open copper sites for acetylene storage[期刊论文]，AICHE JOURNAL，2018-04-01
  • 58. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 59. DOI Tong; minman,Lan; youshi,阳庆元,仲崇立
    High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture[期刊论文]，Green Energy & Environment，2017-10-07
  • 60. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 61. DOI 郭翔宇,阳庆元
    含开放金属位点MIL-101(Cr)掺杂的混合基质膜制备及其CO2分离性能[期刊论文]，化工学报，2017-07-04
  • 62. DOI 郭翔宇,刘大欢,韩彤彤,黄宏亮,阳庆元,仲崇立
    Preparation of Thin Film Nanocomposite Membranes with Surface Modified MOF for High Flux Organic Solvent Nanofiltration[期刊论文]，AICHE JOURNAL，2017-04-01
  • 63. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 64. DOI Lan; Youshi,Tong; Minman,阳庆元,Zhong; Chongli
    Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide[期刊论文]，CrystEngComm，2017-03-13
  • 65. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 66. DOI Wang; Yong,阳庆元,Zhong; Chongli,Li; Jinping
    Theoretical investigation of gas separation in functionalized nanoporous graphene membranes[期刊论文]，APPLIED SURFACE SCIENCE，2017-03-01
  • 67. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 68. DOI Wang; Yong,阳庆元,仲崇立,Li; Jinping
    Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture[期刊论文]，Journal of Physical Chemistry C，2016-11-23
  • 69. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 70. DOI Wang; Yong,Li; Jinping,阳庆元,仲崇立
    Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification[期刊论文]，ACS Applied Materials & Interfaces，2016-03-11
  • 71. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 72. DOI Li; Suxin,Wang; Keke,Shi; Yujie,Cui; Yannan,Chen; Binlong,He; Bin,Dai; Wenbing,Zhang; Hua,Wang; xueqing,仲崇立,Wu Hounan,阳庆元,Zhang Qiang
    Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome[期刊论文]，ADVANCED FUNCTIONAL MATERIALS，2016-02-22
  • 73. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 74. DOI Tong; minman,阳庆元,Ma; Qintian,Liu; Dahuan,Zhong; Chongli
    Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study[期刊论文]，Journal of Materials Chemistry A，2015-11-12
  • 75. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 76. DOI Ban; Yujie,Li; Zhengjie,Li; Yanshuo,Peng; yuan,Jin; Hua,Jiao; Wenmei,Guo; Ang,Wang; Po,阳庆元,仲崇立,Yang; Weisheng
    Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2015-10-30
  • 77. DOI 马京,张玉田,阳庆元,刘大欢,仲崇立
    功能化的金属有机纳米多孔分子笼混合基质膜高效分离CO 2 与CH 4[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 78. DOI 应允攀,兰友世,刘大欢,阳庆元,仲崇立
    ZIF-7/PDMS混合基质膜用于丙酮回收[会议论文]，第18届全国分子筛学术大会论文集（下），2015-10-25
  • 79. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 80. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 81. DOI Xue; wenjuan,Li; Zhengjie,Huang; hongliang,阳庆元,刘大欢,Xu; Qing,仲崇立
    Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study[期刊论文]，CHEMICAL ENGINEERING SCIENCE，2015-10-06
  • 82. DOI 侯丹丹,刘大欢,阳庆元,仲崇立
    金属-有机骨架材料在气体膜分离中的研究进展[期刊论文]，化工进展，2015-08-05
  • 83. DOI 阳庆元,郭翔宇,刘大欢,仲崇立
    纳微结构材料构效关系的计算方法研究[期刊论文]，北京化工大学学报自然科学版，2015-08-01
  • 84. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 85. DOI Wang shumeng,Wu; Dong,Huang; hongliang,阳庆元,Tong; minman,Liu; Dahuan,Zhong; Chongli
    Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites[期刊论文]，CHINESE JOURNAL OF CHEMICAL ENGINEERING，2015-05-19
  • 86. DOI Wang; Yong,Yang; Jianfeng,Li; Zhengjie,Zhang; Zhuoming,Li; Jinping,阳庆元,仲崇立
    Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions[期刊论文]，RSC Advances，2015-04-02
  • 87. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 88. DOI Li Zhengjie,Xiao; Yuanlong,Xue; Wenjuan,阳庆元,Zhong; Chongli
    Ionic Liquid/Metal-Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration[期刊论文]，Journal of Physical Chemistry C，2015-02-02
  • 89. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 90. DOI 王佳晨,童敏曼,单超,肖刚,刘大欢,阳庆元,仲崇立
    杂质对金属-有机骨架材料分离烟道气性能影响的分子模拟研究[期刊论文]，高等学校化学学报，2015-02-01
  • 91. DOI 许红,童敏曼,吴栋,肖刚,阳庆元,刘大欢,仲崇立
    金属-有机骨架材料用于去除天然气中H 2 S的计算研究[期刊论文]，物理化学学报，2015-01-15
  • 92. DOI Huang; Hongliang,Ban; Yujie,阳庆元,Xiao; yuanlong,Li; Yanshuo,Yang; weisheng,Zhong; Chongli
    Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation[期刊论文]，JOURNAL OF MEMBRANE SCIENCE，2015-01-14
  • 93. DOI 陈玉龙,李子巍,温世鹏,阳庆元,张立群,仲崇立,刘力
    Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)[期刊论文]，JOURNAL OF CHEMICAL PHYSICS，2014-09-14
  • 94. DOI 麻沁甜,肖远龙,童敏曼,李正杰,阳庆元,刘大欢,仲崇立
    热力学和计算化学在纳微结构材料构效关系研究与设计中的应用[期刊论文]，中国科学:化学，2014-06-20
  • 95. DOI 王可可,李亮莎,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    铪金属-有机骨架材料的孔尺寸调控及其吸附性能[期刊论文]，化工学报，2014-05-15
  • 96. DOI 应允攀,曾凡平,吴平易,阳庆元,刘大欢,兰玲,王少华,张轶,仲崇立
    溶剂化效应对金属-有机骨架材料界面微环境催化性能的影响[期刊论文]，化工学报，2014-01-10
  • 97. DOI 薄晓帆,吴平易,刘大欢,阳庆元,麻沁甜,兰玲,王少华,张轶,仲崇立
    负载金属的ZIF-8催化活性的计算化学研究[期刊论文]，化工学报，2014-01-10
  • 98. DOI 李亮莎,王可可,黄宏亮,阳庆元,张轶,王少华,吴平易,兰玲,刘大欢,仲崇立
    高稳定铪金属-有机骨架材料的合成及二氧化碳捕获性能[期刊论文]，化工学报，2014-01-10
  • 99. DOI 陈玉龙,刘力,阳庆元,温世鹏,张立群,仲崇立
    Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow[期刊论文]，LANGMUIR，2013-11-12

软件著作

专利

  • 1. 金属有机骨架材料及其制备方法和应用 ，CN114573829A
  • 2. 一种双硫化物复合材料及其制备方法和应用 ，CN112958118A
  • 3. 用金属-，有机骨架材料净化，离子交换或磁化水的方法
  • 4. 一种二维金属-有机骨架材料在SF6/N2分离中的应用
  • 5. 一种基于自动机器学习的化学材料吸附性能预测方法及装置
  • 6. 一种基于深度卷积神经网络预测MOF对甲烷气体吸附性能的方法
  • 7. 一种基于图神经网络的定向分子生成方法

荣誉及奖励

  • 1. 面向难分离体系的新型多孔材料的设计方法与制备 ，2018-11-30 00:00:00 ，社会科技奖励 ，一等奖
  • 2. 面向化工分离的纳米限域结构构筑与性能 ，省部级科技奖励 ，一等奖
  • 3. 纳空间内流体的结构与性能研究 ，省部级科技奖励 ，二等奖
  • 4. 大分子系统的相平衡与传递性质研究 ，省部级科技奖励 ，二等奖

招生信息

  • 联系电话：
  • 电子邮箱： qyyang@mail.buct.edu.cn
  • 邮编：
  • 办公地址： 化学工程学院楼A308
  • 通讯地址：

浏览次数： 10 次

Copyright@ 北京化工大学
京ICP备05066837号
京公网安备： 110402430060