胡自玉头像

胡自玉

副教授

研究方向：计算物理

教师

学历：博士研究生毕业

10 访问

  • 电子邮箱： 2017500007@mail.buct.edu.cn
  • 办公地址： 文理楼C221
  • 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

个人简介

胡自玉博士，主要从事低维材料性能及电子器件设计与研发工作，并聚焦“后摩尔电子功能材料与器件”关键基础科学问题，基于材料、物理、化学、电子与信息等多学科的交叉融合，通过理论预测→实验合制备→物性调控→器件应用思路，开展了深入系统的研究工作。主持国家重点研发计划子课题项目，国家自然科学基金项目和横向项目多项，在Nat. Common.、Adv. Mater.、Adv. Functional Mater.、Nanoscale、Phys. Rev. B、Phys. Rev. Mater.、Appl. Phys. Lett.、Phys. Chem. Chem. Phys.等期刊上发表SCI论文 50余篇。

教育经历

入学时间 毕业时间 学位授予单位 学历
2007-09-01 2012-06-01 北京化工大学 博士研究生毕业
2003-09-01 2007-06-01 洛阳师范学院 大学本科毕业

工作经历

起始年月 截止年月 所在单位名称
2017-03-27 2019-03-01 北京化工大学
2012-06-01 2013-08-01 浪潮（北京）电子信息产业有限公司
2013-08-01 2017-03-01 北京计算科学研究中心
2019-03-01 至今 北京化工大学

社会职务

“全国材料新技术发展研究会”理事；同时是Nature Comm.、Nanoscale、JPCC、 ACS Applied Nano Materials,Appl. Phys. Lett.、Phys. Chem. Chem. Phys.、Materials Science in Semiconductor Processing等多个期刊审稿人

社会活动

1，为深入学习宣传贯彻习近平新时代中国特色社会主义思想，贯彻落实习近平总书记关于教师队伍建设的重要论述，巩固拓展教师党史学习教育成果，常态化开展师德教育，组织参加了首届教师暑期社会实践活动。

研究领域

a)      半导体物理性能的理论研究

对于低维材料的半导体光电功能而言，周期性晶格中的缺陷既是不可避免的影响因素，又是必不可少的调控手段。我们聚焦于功能化，缺陷，异质结等对低维半导体电子结构、发光、导电的影响，延伸到光发射与探测器件。超薄半导体既有利于延续摩尔定律，又能满足柔性与可穿戴器件新要求，同时具备适中的带隙与高迁移率是关键难题。我们从理论上设计新型二维半导体，并有利于从实验上合成并研究其光电性能。(Nature Comm, 2017, Angew. Chem. Int. Ed. 2016，DOI: 10.1002/anie.201605102R1，Applied Physics Letters 2015, 107, 022102，Physical Chemistry Chemical Physics 2015，17, 1099，Journal of Chemical Physics 2014, 141, 084711) 另一方面, 对于光电材料的机理研究上, 主要运用第一性原理分子动力学和密度泛函理论从原子尺度上, 一方面来探求金红石TiO2(110)和锐钛矿TiO2(101)表面吸附小分子的排布及其光催化反应机理，同时通过寻找缺陷，异质结等修饰的二氧化钛/BiVO4等材料的光催化性能研究。(Advanced Energy Materials 2016, 10.1002，Advanced Functional Materials 2015, 25, 3726，Journal of Chemical Physics 2010, 132, 024703.）

b)   热电材料及输运性能研究

电子声子耦合作用给予了热和电能量直接转换的可能性，但与此同时给材料电子和声子输运性质的调控以提升热电性能带来了诸多挑战。 本课题组主要涉及能带工程解耦电子输运性质以及声子工程降低晶格热导率的近期研究成果，诠释通过晶体结构、化学组成、缺陷调控电子声子结构及其散射提升材料热电性能的有效途径。（Nanoscale 2023, 15, 1522-1528，JPCC，2022, 126, 12735，PCCP，2024, 15, 970.）

c)      拓扑材料的新型结构相和其边缘态的量子调控的理论研究  

拓扑绝缘体是体态绝缘而边缘态导电的一种新物质相，其呈现出各种有趣的量子物理特性，而且在自旋电子学和量子计算等领域具有广泛的应用前景。寻找新型的拓扑绝缘体，特别是大的拓扑材料以及对其边缘态的有效调控，一直是拓扑研究的热点。不断涌现的二维新材料为此类研究提供了机遇，我们将基于二维材料的结构多样性，寻求其具有拓扑特性的新型结构相，并考察这些结构相下边缘态的量子可控性。(Physical Review B 2016, 93, 245303, Applied Physics Letters 2015,107, 022102)


本科生课程

课程名称 开课学年 课程总学时 选课人数 课程性质
大学物理实验(II) 2023 32 26 实践环节必修
大学物理实验(II) 2023 32 24 实践环节必修
大学物理实验(II) 2023 32 26 实践环节必修
大学物理实验(II) 2022 32 33 实践环节必修
大学物理实验(II) 2022 32 30 实践环节必修
统计物理 2022 32 139 专业必修
统计物理 2021 32 64 专业必修
统计物理 2021 32 67 专业必修
大学物理实验(II) 2020 32 20 公共基础必修
大学物理实验(II) 2020 32 16 公共基础必修
统计物理 2020 32 63 专业必修
大学物理实验(II) 2020 32 23 公共基础必修
大学物理实验(II) 2020 32 25 公共基础必修
大学物理实验(II) 2020 32 28 实践环节必修
大学物理实验(II) 2020 32 25 实践环节必修
统计物理 2019 32 124 专业必修
大学物理实验(II) 2019 32 26 公共基础必修
大学物理实验(II) 2019 32 26 公共基础必修

研究生课程

校级项目

纵向项目

  • 1. 超痕量惰性气体Kr、Xe 的自动化分离关键技术研究 ，国家重点研发计划，项目时间：2024-05-07 至 2026-11-30
  • 2. 二维材料的新型结构相和其边缘态的量子调控的理论研究 ，国家自然科学基金项目，项目时间：2017-01-01 至 2019-12-31

横向项目

  • 1. 新型电子材料结构输运性质研究 ，其他课题，项目时间：2023-11-17 至 2024-11-17
  • 2. OLED光学性能仿真项目 ，其他研究项目，项目时间：2023-03-29 至 2024-03-29
  • 3. XJH2022080028 ，企事业单位委托项目，项目时间：2022-08-01 至 2024-08-01
  • 4. 新型电子材料结构相量子调控的理论研究 ，其他研究项目，项目时间：2021-09-25 至 2022-09-24
  • 5. JG201913 ，企事业单位委托项目，项目时间：2019-04-01 至 2019-06-30

论文信息

[+][-]代表性论文
  • 1. DOI Pu, Jie,胡自玉,邵晓红
    Two-dimensional Mo1？xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations[期刊论文]，Physical Chemistry Chemical Physics，2024-05-05
  • 2. DOI 李挺,蒲杰,俞天文,胡自玉,邵晓红
    Substituted (P, As, Sb, S and Se) two-dimensional Bi 2 Te 3 monolayer under stress at high temperature: achieving high thermoelectric performance[期刊论文]，New Journal of Chemistry，2023-06-04
  • 3. DOI 杨飞,胡自玉,邵晓红
    First-principles study on tuning electronic and optical properties in graphene rotation on h-BN[期刊论文]，CHEMICAL PHYSICS LETTERS，2023-03-16
  • 4. DOI Shi, Xiaoran,Liu, Hongsheng,胡自玉,Zhao, Jijun,Gao, Junfeng
    Porous carbon-based metal-free monolayers towards highly stable and flexible wearable thermoelectrics and microelectronics[期刊论文]，NANOSCALE，2023-01-27
  • 5. DOI 刘一诺,胡自玉,邵晓红
    The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study[期刊论文]，New Journal of Chemistry，2023-01-01
  • 6. DOI Cheng, Jin-Xing,杨飞,Wang, Qing-Bo,He, Yuan-Yuan,刘一诺,胡自玉,Wen, Wei-Wei,Wu, You-Peng,Zheng, Cheng-Yin,Yu, Ai,Lu, Xin,Zhang, Yue
    First-Principles Study on Mechanical and Optical Behavior of Plutonium Oxide under Typical Structural Phases and Vacancy Defects[期刊论文]，Materials，2022-11-01
  • 7. DOI 胡自玉,武文杰,Wang, Qitean,邵晓红
    Theoretical Study of Ba2X6(X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning[期刊论文]，Journal of Physical Chemistry C，2022-08-04
  • 8. DOI Xu, Lili,Zhou, Wenhan,Liu, Wenqiang,Xia, Xinyan,Liu, Gaoyu,Guo, Tingting,胡自玉,Li, Zhi,Zhang, Shengli
    Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)[期刊论文]，PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES，2022-04-01
  • 9. DOI Kang, Qidong,杨飞,Zhang, Xinyu,胡自玉
    Mechanical and optical behaviors: strain synergy effects in high temperature phase oxides of lead[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-11-01
  • 10. DOI 王晓芳,鲁勇,胡自玉,邵晓红
    Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg3X2 (X = As, Sb, Bi)[期刊论文]，METALS，2021-06-01
  • 11. DOI Li, Xiaofeng,Du, Junyi,胡自玉
    Theoretical research on novel monoclinic Zr2B5 from first principles calculations[期刊论文]，EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS，2020-12-04
  • 12. DOI Yu, Fengdu,胡自玉
    Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2020-05-21
  • 13. DOI Wang, Qian,胡自玉,邵晓红
    Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study[期刊论文]，AIP ADVANCES，2020-04-01
  • 14. DOI 胡自玉,Zhang, Shengli,Zhang, Chunfang,邵晓红
    Donor-acceptor units modulate the electronic and photoluminescence characteristics of thiophene oligomers[期刊论文]，JOURNAL OF APPLIED PHYSICS，2019-12-28
  • 15. DOI Li, Kang,胡自玉,Ma, Jizhen,Chen, Song,Mu, Dexu,Zhang, Jintao
    A 3D and Stable Lithium Anode for High-Performance Lithium-Iodine Batteries[期刊论文]，ADVANCED MATERIALS，2019-08-01
  • 16. DOI 胡自玉,Gao, Junfeng,Zhang, Shengli,Zhao, Jijun,Zhou, Wenhan,Zeng, Haibo
    Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene[期刊论文]，PHYSICAL REVIEW MATERIALS，2019-07-22
  • 17. DOI 胡自玉,Ding, Yingchun,Hu, Xuemin,Zhou, Wenhan,Yu, Xuechao,Zhang, Shengli
    Recent progress in 2D group IV-IV monochalcogenides: synthesis, properties and applications[期刊论文]，NANOTECHNOLOGY，2019-06-21
  • 18. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 19. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 20. DOI 黄燕,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，COMPUTATIONAL MATERIALS SCIENCE，2018-02-15
  • 21. DOI 黄燕,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-01-01
  • 22. DOI Zhang, Ningning,Zhang, Yujuan,Zhang, Ping,Yang, Yu,胡自玉,Ge, Changchun
    Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten[期刊论文]，APPLIED PHYSICS EXPRESS，2018-01-01
  • 23. DOI Huang Yan,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，Chemical physics letters，2017-11-22
  • 24. DOI Huang Yan,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，Computational Materials Science，2017-11-11
  • 25. DOI 胡自玉,李开跃,鲁勇,黄艳,邵晓红
    High thermoelectric performances of monolayer SnSe allotropes[期刊论文]，Nanoscale，2017-09-21
  • 26. DOI Lu Ke,胡自玉,Jizhen Ma,Houyi Ma,Liming Dai,Jintao Zhang
    A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry[期刊论文]，Nature Communications，2017-09-13
[+][-] 2024年
  • 1. DOI Pu, Jie,胡自玉,邵晓红
    Two-dimensional Mo1？xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations[期刊论文]，Physical Chemistry Chemical Physics，2024-05-05
  • 2. DOI 李挺,蒲杰,俞天文,胡自玉,邵晓红
    Substituted (P, As, Sb, S and Se) two-dimensional Bi 2 Te 3 monolayer under stress at high temperature: achieving high thermoelectric performance[期刊论文]，New Journal of Chemistry，2023-06-04
  • 3. DOI 杨飞,胡自玉,邵晓红
    First-principles study on tuning electronic and optical properties in graphene rotation on h-BN[期刊论文]，CHEMICAL PHYSICS LETTERS，2023-03-16
  • 4. DOI Shi, Xiaoran,Liu, Hongsheng,胡自玉,Zhao, Jijun,Gao, Junfeng
    Porous carbon-based metal-free monolayers towards highly stable and flexible wearable thermoelectrics and microelectronics[期刊论文]，NANOSCALE，2023-01-27
  • 5. DOI 刘一诺,胡自玉,邵晓红
    The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study[期刊论文]，New Journal of Chemistry，2023-01-01
  • 6. DOI Cheng, Jin-Xing,杨飞,Wang, Qing-Bo,He, Yuan-Yuan,刘一诺,胡自玉,Wen, Wei-Wei,Wu, You-Peng,Zheng, Cheng-Yin,Yu, Ai,Lu, Xin,Zhang, Yue
    First-Principles Study on Mechanical and Optical Behavior of Plutonium Oxide under Typical Structural Phases and Vacancy Defects[期刊论文]，Materials，2022-11-01
  • 7. DOI 胡自玉,武文杰,Wang, Qitean,邵晓红
    Theoretical Study of Ba2X6(X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning[期刊论文]，Journal of Physical Chemistry C，2022-08-04
  • 8. DOI Xu, Lili,Zhou, Wenhan,Liu, Wenqiang,Xia, Xinyan,Liu, Gaoyu,Guo, Tingting,胡自玉,Li, Zhi,Zhang, Shengli
    Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)[期刊论文]，PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES，2022-04-01
  • 9. DOI Kang, Qidong,杨飞,Zhang, Xinyu,胡自玉
    Mechanical and optical behaviors: strain synergy effects in high temperature phase oxides of lead[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-11-01
  • 10. DOI 王晓芳,鲁勇,胡自玉,邵晓红
    Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg3X2 (X = As, Sb, Bi)[期刊论文]，METALS，2021-06-01
  • 11. DOI Li, Xiaofeng,Du, Junyi,胡自玉
    Theoretical research on novel monoclinic Zr2B5 from first principles calculations[期刊论文]，EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS，2020-12-04
  • 12. DOI Yu, Fengdu,胡自玉
    Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2020-05-21
  • 13. DOI Wang, Qian,胡自玉,邵晓红
    Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study[期刊论文]，AIP ADVANCES，2020-04-01
  • 14. DOI 胡自玉,Zhang, Shengli,Zhang, Chunfang,邵晓红
    Donor-acceptor units modulate the electronic and photoluminescence characteristics of thiophene oligomers[期刊论文]，JOURNAL OF APPLIED PHYSICS，2019-12-28
  • 15. DOI Li, Kang,胡自玉,Ma, Jizhen,Chen, Song,Mu, Dexu,Zhang, Jintao
    A 3D and Stable Lithium Anode for High-Performance Lithium-Iodine Batteries[期刊论文]，ADVANCED MATERIALS，2019-08-01
  • 16. DOI 胡自玉,Gao, Junfeng,Zhang, Shengli,Zhao, Jijun,Zhou, Wenhan,Zeng, Haibo
    Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene[期刊论文]，PHYSICAL REVIEW MATERIALS，2019-07-22
  • 17. DOI 胡自玉,Ding, Yingchun,Hu, Xuemin,Zhou, Wenhan,Yu, Xuechao,Zhang, Shengli
    Recent progress in 2D group IV-IV monochalcogenides: synthesis, properties and applications[期刊论文]，NANOTECHNOLOGY，2019-06-21
  • 18. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 19. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 20. DOI 黄燕,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，COMPUTATIONAL MATERIALS SCIENCE，2018-02-15
  • 21. DOI 黄燕,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-01-01
  • 22. DOI Zhang, Ningning,Zhang, Yujuan,Zhang, Ping,Yang, Yu,胡自玉,Ge, Changchun
    Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten[期刊论文]，APPLIED PHYSICS EXPRESS，2018-01-01
  • 23. DOI Huang Yan,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，Chemical physics letters，2017-11-22
  • 24. DOI Huang Yan,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，Computational Materials Science，2017-11-11
  • 25. DOI 胡自玉,李开跃,鲁勇,黄艳,邵晓红
    High thermoelectric performances of monolayer SnSe allotropes[期刊论文]，Nanoscale，2017-09-21
  • 26. DOI Lu Ke,胡自玉,Jizhen Ma,Houyi Ma,Liming Dai,Jintao Zhang
    A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry[期刊论文]，Nature Communications，2017-09-13
[+][-] 2023年
  • 1. DOI Pu, Jie,胡自玉,邵晓红
    Two-dimensional Mo1？xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations[期刊论文]，Physical Chemistry Chemical Physics，2024-05-05
  • 2. DOI 李挺,蒲杰,俞天文,胡自玉,邵晓红
    Substituted (P, As, Sb, S and Se) two-dimensional Bi 2 Te 3 monolayer under stress at high temperature: achieving high thermoelectric performance[期刊论文]，New Journal of Chemistry，2023-06-04
  • 3. DOI 杨飞,胡自玉,邵晓红
    First-principles study on tuning electronic and optical properties in graphene rotation on h-BN[期刊论文]，CHEMICAL PHYSICS LETTERS，2023-03-16
  • 4. DOI Shi, Xiaoran,Liu, Hongsheng,胡自玉,Zhao, Jijun,Gao, Junfeng
    Porous carbon-based metal-free monolayers towards highly stable and flexible wearable thermoelectrics and microelectronics[期刊论文]，NANOSCALE，2023-01-27
  • 5. DOI 刘一诺,胡自玉,邵晓红
    The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study[期刊论文]，New Journal of Chemistry，2023-01-01
  • 6. DOI Cheng, Jin-Xing,杨飞,Wang, Qing-Bo,He, Yuan-Yuan,刘一诺,胡自玉,Wen, Wei-Wei,Wu, You-Peng,Zheng, Cheng-Yin,Yu, Ai,Lu, Xin,Zhang, Yue
    First-Principles Study on Mechanical and Optical Behavior of Plutonium Oxide under Typical Structural Phases and Vacancy Defects[期刊论文]，Materials，2022-11-01
  • 7. DOI 胡自玉,武文杰,Wang, Qitean,邵晓红
    Theoretical Study of Ba2X6(X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning[期刊论文]，Journal of Physical Chemistry C，2022-08-04
  • 8. DOI Xu, Lili,Zhou, Wenhan,Liu, Wenqiang,Xia, Xinyan,Liu, Gaoyu,Guo, Tingting,胡自玉,Li, Zhi,Zhang, Shengli
    Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)[期刊论文]，PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES，2022-04-01
  • 9. DOI Kang, Qidong,杨飞,Zhang, Xinyu,胡自玉
    Mechanical and optical behaviors: strain synergy effects in high temperature phase oxides of lead[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-11-01
  • 10. DOI 王晓芳,鲁勇,胡自玉,邵晓红
    Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg3X2 (X = As, Sb, Bi)[期刊论文]，METALS，2021-06-01
  • 11. DOI Li, Xiaofeng,Du, Junyi,胡自玉
    Theoretical research on novel monoclinic Zr2B5 from first principles calculations[期刊论文]，EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS，2020-12-04
  • 12. DOI Yu, Fengdu,胡自玉
    Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2020-05-21
  • 13. DOI Wang, Qian,胡自玉,邵晓红
    Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study[期刊论文]，AIP ADVANCES，2020-04-01
  • 14. DOI 胡自玉,Zhang, Shengli,Zhang, Chunfang,邵晓红
    Donor-acceptor units modulate the electronic and photoluminescence characteristics of thiophene oligomers[期刊论文]，JOURNAL OF APPLIED PHYSICS，2019-12-28
  • 15. DOI Li, Kang,胡自玉,Ma, Jizhen,Chen, Song,Mu, Dexu,Zhang, Jintao
    A 3D and Stable Lithium Anode for High-Performance Lithium-Iodine Batteries[期刊论文]，ADVANCED MATERIALS，2019-08-01
  • 16. DOI 胡自玉,Gao, Junfeng,Zhang, Shengli,Zhao, Jijun,Zhou, Wenhan,Zeng, Haibo
    Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene[期刊论文]，PHYSICAL REVIEW MATERIALS，2019-07-22
  • 17. DOI 胡自玉,Ding, Yingchun,Hu, Xuemin,Zhou, Wenhan,Yu, Xuechao,Zhang, Shengli
    Recent progress in 2D group IV-IV monochalcogenides: synthesis, properties and applications[期刊论文]，NANOTECHNOLOGY，2019-06-21
  • 18. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 19. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 20. DOI 黄燕,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，COMPUTATIONAL MATERIALS SCIENCE，2018-02-15
  • 21. DOI 黄燕,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-01-01
  • 22. DOI Zhang, Ningning,Zhang, Yujuan,Zhang, Ping,Yang, Yu,胡自玉,Ge, Changchun
    Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten[期刊论文]，APPLIED PHYSICS EXPRESS，2018-01-01
  • 23. DOI Huang Yan,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，Chemical physics letters，2017-11-22
  • 24. DOI Huang Yan,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，Computational Materials Science，2017-11-11
  • 25. DOI 胡自玉,李开跃,鲁勇,黄艳,邵晓红
    High thermoelectric performances of monolayer SnSe allotropes[期刊论文]，Nanoscale，2017-09-21
  • 26. DOI Lu Ke,胡自玉,Jizhen Ma,Houyi Ma,Liming Dai,Jintao Zhang
    A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry[期刊论文]，Nature Communications，2017-09-13
[+][-]2022年
  • 1. DOI Pu, Jie,胡自玉,邵晓红
    Two-dimensional Mo1？xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations[期刊论文]，Physical Chemistry Chemical Physics，2024-05-05
  • 2. DOI 李挺,蒲杰,俞天文,胡自玉,邵晓红
    Substituted (P, As, Sb, S and Se) two-dimensional Bi 2 Te 3 monolayer under stress at high temperature: achieving high thermoelectric performance[期刊论文]，New Journal of Chemistry，2023-06-04
  • 3. DOI 杨飞,胡自玉,邵晓红
    First-principles study on tuning electronic and optical properties in graphene rotation on h-BN[期刊论文]，CHEMICAL PHYSICS LETTERS，2023-03-16
  • 4. DOI Shi, Xiaoran,Liu, Hongsheng,胡自玉,Zhao, Jijun,Gao, Junfeng
    Porous carbon-based metal-free monolayers towards highly stable and flexible wearable thermoelectrics and microelectronics[期刊论文]，NANOSCALE，2023-01-27
  • 5. DOI 刘一诺,胡自玉,邵晓红
    The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study[期刊论文]，New Journal of Chemistry，2023-01-01
  • 6. DOI Cheng, Jin-Xing,杨飞,Wang, Qing-Bo,He, Yuan-Yuan,刘一诺,胡自玉,Wen, Wei-Wei,Wu, You-Peng,Zheng, Cheng-Yin,Yu, Ai,Lu, Xin,Zhang, Yue
    First-Principles Study on Mechanical and Optical Behavior of Plutonium Oxide under Typical Structural Phases and Vacancy Defects[期刊论文]，Materials，2022-11-01
  • 7. DOI 胡自玉,武文杰,Wang, Qitean,邵晓红
    Theoretical Study of Ba2X6(X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning[期刊论文]，Journal of Physical Chemistry C，2022-08-04
  • 8. DOI Xu, Lili,Zhou, Wenhan,Liu, Wenqiang,Xia, Xinyan,Liu, Gaoyu,Guo, Tingting,胡自玉,Li, Zhi,Zhang, Shengli
    Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)[期刊论文]，PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES，2022-04-01
  • 9. DOI Kang, Qidong,杨飞,Zhang, Xinyu,胡自玉
    Mechanical and optical behaviors: strain synergy effects in high temperature phase oxides of lead[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-11-01
  • 10. DOI 王晓芳,鲁勇,胡自玉,邵晓红
    Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg3X2 (X = As, Sb, Bi)[期刊论文]，METALS，2021-06-01
  • 11. DOI Li, Xiaofeng,Du, Junyi,胡自玉
    Theoretical research on novel monoclinic Zr2B5 from first principles calculations[期刊论文]，EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS，2020-12-04
  • 12. DOI Yu, Fengdu,胡自玉
    Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2020-05-21
  • 13. DOI Wang, Qian,胡自玉,邵晓红
    Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study[期刊论文]，AIP ADVANCES，2020-04-01
  • 14. DOI 胡自玉,Zhang, Shengli,Zhang, Chunfang,邵晓红
    Donor-acceptor units modulate the electronic and photoluminescence characteristics of thiophene oligomers[期刊论文]，JOURNAL OF APPLIED PHYSICS，2019-12-28
  • 15. DOI Li, Kang,胡自玉,Ma, Jizhen,Chen, Song,Mu, Dexu,Zhang, Jintao
    A 3D and Stable Lithium Anode for High-Performance Lithium-Iodine Batteries[期刊论文]，ADVANCED MATERIALS，2019-08-01
  • 16. DOI 胡自玉,Gao, Junfeng,Zhang, Shengli,Zhao, Jijun,Zhou, Wenhan,Zeng, Haibo
    Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene[期刊论文]，PHYSICAL REVIEW MATERIALS，2019-07-22
  • 17. DOI 胡自玉,Ding, Yingchun,Hu, Xuemin,Zhou, Wenhan,Yu, Xuechao,Zhang, Shengli
    Recent progress in 2D group IV-IV monochalcogenides: synthesis, properties and applications[期刊论文]，NANOTECHNOLOGY，2019-06-21
  • 18. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 19. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 20. DOI 黄燕,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，COMPUTATIONAL MATERIALS SCIENCE，2018-02-15
  • 21. DOI 黄燕,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-01-01
  • 22. DOI Zhang, Ningning,Zhang, Yujuan,Zhang, Ping,Yang, Yu,胡自玉,Ge, Changchun
    Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten[期刊论文]，APPLIED PHYSICS EXPRESS，2018-01-01
  • 23. DOI Huang Yan,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，Chemical physics letters，2017-11-22
  • 24. DOI Huang Yan,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，Computational Materials Science，2017-11-11
  • 25. DOI 胡自玉,李开跃,鲁勇,黄艳,邵晓红
    High thermoelectric performances of monolayer SnSe allotropes[期刊论文]，Nanoscale，2017-09-21
  • 26. DOI Lu Ke,胡自玉,Jizhen Ma,Houyi Ma,Liming Dai,Jintao Zhang
    A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry[期刊论文]，Nature Communications，2017-09-13
[+][-]2021年
  • 1. DOI Pu, Jie,胡自玉,邵晓红
    Two-dimensional Mo1？xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations[期刊论文]，Physical Chemistry Chemical Physics，2024-05-05
  • 2. DOI 李挺,蒲杰,俞天文,胡自玉,邵晓红
    Substituted (P, As, Sb, S and Se) two-dimensional Bi 2 Te 3 monolayer under stress at high temperature: achieving high thermoelectric performance[期刊论文]，New Journal of Chemistry，2023-06-04
  • 3. DOI 杨飞,胡自玉,邵晓红
    First-principles study on tuning electronic and optical properties in graphene rotation on h-BN[期刊论文]，CHEMICAL PHYSICS LETTERS，2023-03-16
  • 4. DOI Shi, Xiaoran,Liu, Hongsheng,胡自玉,Zhao, Jijun,Gao, Junfeng
    Porous carbon-based metal-free monolayers towards highly stable and flexible wearable thermoelectrics and microelectronics[期刊论文]，NANOSCALE，2023-01-27
  • 5. DOI 刘一诺,胡自玉,邵晓红
    The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study[期刊论文]，New Journal of Chemistry，2023-01-01
  • 6. DOI Cheng, Jin-Xing,杨飞,Wang, Qing-Bo,He, Yuan-Yuan,刘一诺,胡自玉,Wen, Wei-Wei,Wu, You-Peng,Zheng, Cheng-Yin,Yu, Ai,Lu, Xin,Zhang, Yue
    First-Principles Study on Mechanical and Optical Behavior of Plutonium Oxide under Typical Structural Phases and Vacancy Defects[期刊论文]，Materials，2022-11-01
  • 7. DOI 胡自玉,武文杰,Wang, Qitean,邵晓红
    Theoretical Study of Ba2X6(X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning[期刊论文]，Journal of Physical Chemistry C，2022-08-04
  • 8. DOI Xu, Lili,Zhou, Wenhan,Liu, Wenqiang,Xia, Xinyan,Liu, Gaoyu,Guo, Tingting,胡自玉,Li, Zhi,Zhang, Shengli
    Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)[期刊论文]，PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES，2022-04-01
  • 9. DOI Kang, Qidong,杨飞,Zhang, Xinyu,胡自玉
    Mechanical and optical behaviors: strain synergy effects in high temperature phase oxides of lead[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-11-01
  • 10. DOI 王晓芳,鲁勇,胡自玉,邵晓红
    Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg3X2 (X = As, Sb, Bi)[期刊论文]，METALS，2021-06-01
  • 11. DOI Li, Xiaofeng,Du, Junyi,胡自玉
    Theoretical research on novel monoclinic Zr2B5 from first principles calculations[期刊论文]，EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS，2020-12-04
  • 12. DOI Yu, Fengdu,胡自玉
    Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2020-05-21
  • 13. DOI Wang, Qian,胡自玉,邵晓红
    Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study[期刊论文]，AIP ADVANCES，2020-04-01
  • 14. DOI 胡自玉,Zhang, Shengli,Zhang, Chunfang,邵晓红
    Donor-acceptor units modulate the electronic and photoluminescence characteristics of thiophene oligomers[期刊论文]，JOURNAL OF APPLIED PHYSICS，2019-12-28
  • 15. DOI Li, Kang,胡自玉,Ma, Jizhen,Chen, Song,Mu, Dexu,Zhang, Jintao
    A 3D and Stable Lithium Anode for High-Performance Lithium-Iodine Batteries[期刊论文]，ADVANCED MATERIALS，2019-08-01
  • 16. DOI 胡自玉,Gao, Junfeng,Zhang, Shengli,Zhao, Jijun,Zhou, Wenhan,Zeng, Haibo
    Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene[期刊论文]，PHYSICAL REVIEW MATERIALS，2019-07-22
  • 17. DOI 胡自玉,Ding, Yingchun,Hu, Xuemin,Zhou, Wenhan,Yu, Xuechao,Zhang, Shengli
    Recent progress in 2D group IV-IV monochalcogenides: synthesis, properties and applications[期刊论文]，NANOTECHNOLOGY，2019-06-21
  • 18. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 19. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 20. DOI 黄燕,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，COMPUTATIONAL MATERIALS SCIENCE，2018-02-15
  • 21. DOI 黄燕,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-01-01
  • 22. DOI Zhang, Ningning,Zhang, Yujuan,Zhang, Ping,Yang, Yu,胡自玉,Ge, Changchun
    Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten[期刊论文]，APPLIED PHYSICS EXPRESS，2018-01-01
  • 23. DOI Huang Yan,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，Chemical physics letters，2017-11-22
  • 24. DOI Huang Yan,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，Computational Materials Science，2017-11-11
  • 25. DOI 胡自玉,李开跃,鲁勇,黄艳,邵晓红
    High thermoelectric performances of monolayer SnSe allotropes[期刊论文]，Nanoscale，2017-09-21
  • 26. DOI Lu Ke,胡自玉,Jizhen Ma,Houyi Ma,Liming Dai,Jintao Zhang
    A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry[期刊论文]，Nature Communications，2017-09-13
[+][-]2020年
  • 1. DOI Pu, Jie,胡自玉,邵晓红
    Two-dimensional Mo1？xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations[期刊论文]，Physical Chemistry Chemical Physics，2024-05-05
  • 2. DOI 李挺,蒲杰,俞天文,胡自玉,邵晓红
    Substituted (P, As, Sb, S and Se) two-dimensional Bi 2 Te 3 monolayer under stress at high temperature: achieving high thermoelectric performance[期刊论文]，New Journal of Chemistry，2023-06-04
  • 3. DOI 杨飞,胡自玉,邵晓红
    First-principles study on tuning electronic and optical properties in graphene rotation on h-BN[期刊论文]，CHEMICAL PHYSICS LETTERS，2023-03-16
  • 4. DOI Shi, Xiaoran,Liu, Hongsheng,胡自玉,Zhao, Jijun,Gao, Junfeng
    Porous carbon-based metal-free monolayers towards highly stable and flexible wearable thermoelectrics and microelectronics[期刊论文]，NANOSCALE，2023-01-27
  • 5. DOI 刘一诺,胡自玉,邵晓红
    The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study[期刊论文]，New Journal of Chemistry，2023-01-01
  • 6. DOI Cheng, Jin-Xing,杨飞,Wang, Qing-Bo,He, Yuan-Yuan,刘一诺,胡自玉,Wen, Wei-Wei,Wu, You-Peng,Zheng, Cheng-Yin,Yu, Ai,Lu, Xin,Zhang, Yue
    First-Principles Study on Mechanical and Optical Behavior of Plutonium Oxide under Typical Structural Phases and Vacancy Defects[期刊论文]，Materials，2022-11-01
  • 7. DOI 胡自玉,武文杰,Wang, Qitean,邵晓红
    Theoretical Study of Ba2X6(X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning[期刊论文]，Journal of Physical Chemistry C，2022-08-04
  • 8. DOI Xu, Lili,Zhou, Wenhan,Liu, Wenqiang,Xia, Xinyan,Liu, Gaoyu,Guo, Tingting,胡自玉,Li, Zhi,Zhang, Shengli
    Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)[期刊论文]，PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES，2022-04-01
  • 9. DOI Kang, Qidong,杨飞,Zhang, Xinyu,胡自玉
    Mechanical and optical behaviors: strain synergy effects in high temperature phase oxides of lead[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-11-01
  • 10. DOI 王晓芳,鲁勇,胡自玉,邵晓红
    Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg3X2 (X = As, Sb, Bi)[期刊论文]，METALS，2021-06-01
  • 11. DOI Li, Xiaofeng,Du, Junyi,胡自玉
    Theoretical research on novel monoclinic Zr2B5 from first principles calculations[期刊论文]，EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS，2020-12-04
  • 12. DOI Yu, Fengdu,胡自玉
    Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2020-05-21
  • 13. DOI Wang, Qian,胡自玉,邵晓红
    Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study[期刊论文]，AIP ADVANCES，2020-04-01
  • 14. DOI 胡自玉,Zhang, Shengli,Zhang, Chunfang,邵晓红
    Donor-acceptor units modulate the electronic and photoluminescence characteristics of thiophene oligomers[期刊论文]，JOURNAL OF APPLIED PHYSICS，2019-12-28
  • 15. DOI Li, Kang,胡自玉,Ma, Jizhen,Chen, Song,Mu, Dexu,Zhang, Jintao
    A 3D and Stable Lithium Anode for High-Performance Lithium-Iodine Batteries[期刊论文]，ADVANCED MATERIALS，2019-08-01
  • 16. DOI 胡自玉,Gao, Junfeng,Zhang, Shengli,Zhao, Jijun,Zhou, Wenhan,Zeng, Haibo
    Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene[期刊论文]，PHYSICAL REVIEW MATERIALS，2019-07-22
  • 17. DOI 胡自玉,Ding, Yingchun,Hu, Xuemin,Zhou, Wenhan,Yu, Xuechao,Zhang, Shengli
    Recent progress in 2D group IV-IV monochalcogenides: synthesis, properties and applications[期刊论文]，NANOTECHNOLOGY，2019-06-21
  • 18. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 19. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 20. DOI 黄燕,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，COMPUTATIONAL MATERIALS SCIENCE，2018-02-15
  • 21. DOI 黄燕,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-01-01
  • 22. DOI Zhang, Ningning,Zhang, Yujuan,Zhang, Ping,Yang, Yu,胡自玉,Ge, Changchun
    Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten[期刊论文]，APPLIED PHYSICS EXPRESS，2018-01-01
  • 23. DOI Huang Yan,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，Chemical physics letters，2017-11-22
  • 24. DOI Huang Yan,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，Computational Materials Science，2017-11-11
  • 25. DOI 胡自玉,李开跃,鲁勇,黄艳,邵晓红
    High thermoelectric performances of monolayer SnSe allotropes[期刊论文]，Nanoscale，2017-09-21
  • 26. DOI Lu Ke,胡自玉,Jizhen Ma,Houyi Ma,Liming Dai,Jintao Zhang
    A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry[期刊论文]，Nature Communications，2017-09-13
[+][-]2020年之前
  • 1. DOI Pu, Jie,胡自玉,邵晓红
    Two-dimensional Mo1？xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations[期刊论文]，Physical Chemistry Chemical Physics，2024-05-05
  • 2. DOI 李挺,蒲杰,俞天文,胡自玉,邵晓红
    Substituted (P, As, Sb, S and Se) two-dimensional Bi 2 Te 3 monolayer under stress at high temperature: achieving high thermoelectric performance[期刊论文]，New Journal of Chemistry，2023-06-04
  • 3. DOI 杨飞,胡自玉,邵晓红
    First-principles study on tuning electronic and optical properties in graphene rotation on h-BN[期刊论文]，CHEMICAL PHYSICS LETTERS，2023-03-16
  • 4. DOI Shi, Xiaoran,Liu, Hongsheng,胡自玉,Zhao, Jijun,Gao, Junfeng
    Porous carbon-based metal-free monolayers towards highly stable and flexible wearable thermoelectrics and microelectronics[期刊论文]，NANOSCALE，2023-01-27
  • 5. DOI 刘一诺,胡自玉,邵晓红
    The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study[期刊论文]，New Journal of Chemistry，2023-01-01
  • 6. DOI Cheng, Jin-Xing,杨飞,Wang, Qing-Bo,He, Yuan-Yuan,刘一诺,胡自玉,Wen, Wei-Wei,Wu, You-Peng,Zheng, Cheng-Yin,Yu, Ai,Lu, Xin,Zhang, Yue
    First-Principles Study on Mechanical and Optical Behavior of Plutonium Oxide under Typical Structural Phases and Vacancy Defects[期刊论文]，Materials，2022-11-01
  • 7. DOI 胡自玉,武文杰,Wang, Qitean,邵晓红
    Theoretical Study of Ba2X6(X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning[期刊论文]，Journal of Physical Chemistry C，2022-08-04
  • 8. DOI Xu, Lili,Zhou, Wenhan,Liu, Wenqiang,Xia, Xinyan,Liu, Gaoyu,Guo, Tingting,胡自玉,Li, Zhi,Zhang, Shengli
    Unexpected band gap evolution and high carrier mobility sparked by the orbital variation in two-dimensional GaGeX (X = S, Se, Te)[期刊论文]，PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES，2022-04-01
  • 9. DOI Kang, Qidong,杨飞,Zhang, Xinyu,胡自玉
    Mechanical and optical behaviors: strain synergy effects in high temperature phase oxides of lead[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-11-01
  • 10. DOI 王晓芳,鲁勇,胡自玉,邵晓红
    Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg3X2 (X = As, Sb, Bi)[期刊论文]，METALS，2021-06-01
  • 11. DOI Li, Xiaofeng,Du, Junyi,胡自玉
    Theoretical research on novel monoclinic Zr2B5 from first principles calculations[期刊论文]，EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS，2020-12-04
  • 12. DOI Yu, Fengdu,胡自玉
    Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2020-05-21
  • 13. DOI Wang, Qian,胡自玉,邵晓红
    Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study[期刊论文]，AIP ADVANCES，2020-04-01
  • 14. DOI 胡自玉,Zhang, Shengli,Zhang, Chunfang,邵晓红
    Donor-acceptor units modulate the electronic and photoluminescence characteristics of thiophene oligomers[期刊论文]，JOURNAL OF APPLIED PHYSICS，2019-12-28
  • 15. DOI Li, Kang,胡自玉,Ma, Jizhen,Chen, Song,Mu, Dexu,Zhang, Jintao
    A 3D and Stable Lithium Anode for High-Performance Lithium-Iodine Batteries[期刊论文]，ADVANCED MATERIALS，2019-08-01
  • 16. DOI 胡自玉,Gao, Junfeng,Zhang, Shengli,Zhao, Jijun,Zhou, Wenhan,Zeng, Haibo
    Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene[期刊论文]，PHYSICAL REVIEW MATERIALS，2019-07-22
  • 17. DOI 胡自玉,Ding, Yingchun,Hu, Xuemin,Zhou, Wenhan,Yu, Xuechao,Zhang, Shengli
    Recent progress in 2D group IV-IV monochalcogenides: synthesis, properties and applications[期刊论文]，NANOTECHNOLOGY，2019-06-21
  • 18. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 19. DOI Gong, Xu,胡自玉,黄燕,邵晓红
    Hydrogenated and halogenated MB (M=As, Sb and Bi) monolayers: Structural, electronic, optical and topological properties by first principles calculations[期刊论文]，JOURNAL OF ALLOYS AND COMPOUNDS，2018-10-30
  • 20. DOI 黄燕,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，COMPUTATIONAL MATERIALS SCIENCE，2018-02-15
  • 21. DOI 黄燕,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-01-01
  • 22. DOI Zhang, Ningning,Zhang, Yujuan,Zhang, Ping,Yang, Yu,胡自玉,Ge, Changchun
    Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten[期刊论文]，APPLIED PHYSICS EXPRESS，2018-01-01
  • 23. DOI Huang Yan,胡自玉,Gong Xu,邵晓红
    Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers[期刊论文]，Chemical physics letters，2017-11-22
  • 24. DOI Huang Yan,胡自玉,Li Kaiyue,邵晓红
    First principles investigation on pressure induced phase transition and photocatalytic properties in RbPbCl3[期刊论文]，Computational Materials Science，2017-11-11
  • 25. DOI 胡自玉,李开跃,鲁勇,黄艳,邵晓红
    High thermoelectric performances of monolayer SnSe allotropes[期刊论文]，Nanoscale，2017-09-21
  • 26. DOI Lu Ke,胡自玉,Jizhen Ma,Houyi Ma,Liming Dai,Jintao Zhang
    A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry[期刊论文]，Nature Communications，2017-09-13

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招生信息

课题大组有研究生10-15人，每年希望招研究生2-3人，课题组培养了优秀的毕业生都在中国工程物理研究院，九院，航天九院，中国电子科技集团，京东方和中芯国际负责要职。