IntroductionDr. Zhang focus on study of structure-performance relationship of energy related materials by multi-scale simulation and machine learning methods, design and screening noval materials. To date, Dr. Zhang has published more than 70 papers with over 8000 citations and H-index 35 in noted journals, such as Advanced Materials, Angew. Chem. Int. Ed., Advanced Energy Materials, Nano Letters, ACS Nano, ACS Catalysis, Nano Energy et al. EducationWork ExperienceSocial PositionSocial ActivitiesResearch1. Multiscale simulation including DFT, MD, KMC, FEM; Machine learning 2. Structure-performance relationship of nanomaterials covering photonics, electronic, thermodynamics and magnetic properties 3. Reaction mechanism, including ORR, OER, HER, CO2RR, NRR 4. Carbon based functional materials design and screening Teaching1. Undergraduate course The Principle of Chemical Engineering 2. Graduate course Catalytic Theory and Simulations PostgraduatesFunding1. National Natural Science Funding of China, 2 programmes 2. National Key Research and Development Program of China, 3 programmes Vertical ProjectHorizontal ProjectPublications1. Yunxia Duan, Yongming Xia, Yuxuan Ling, Shijie Zhou, Xuehui Liu, Yinghui Lan, Xiong Yin*, Yusen Yang, Xiaoying Yan, Minghui Liang, Song Hong, Lipeng Zhang*, Leyu Wang*, Regulating second-shell coordination in cobalt single-atom catalysts toward highly selective hydrogenation, ACS Nano 2024, 18, 32, 21326–21335 https://doi.org/10.1021/acsnano.4c05637 2. Fuli Zhang, Lele Gong, Minghui Liu, Yu Ying, Yahui Cui, Jie Shao, Yingjie Yu*, Aijun Gao*, Jun Ma, Lipeng Zhang*,Nature of CC coupling and strategy of tuning the catalytic activity of Cu-NC catalysts for electro-reduction of CO2 to ethanol,Nano Energy2024, 127, 109699. https://doi.org/10.1016/j.nanoen.2024.109699 3. Song Li, Shuai Li, Zhanhua Wu, Lingyan Qin, Jiaqi Liu, Wen Zhou, Haitao Kang, Lele Gong*, Lipeng Zhang*,Rational design of highly efficient carbon-based materials for electrochemical CO2 reduction reaction, Fuel 2024, 357, 129760.https://doi.org/10.1016/j.fuel.2023.129760 4. Yuan Shao, Qi Yang*, Yong Zhang, Na Jiang, Yuhan Hao, Keqi Qu, Yadong Du, Jun Qi, Ying Li, Yongchao Tang, Xuejun Lu, Lipeng Zhang, Jieshan Qiu*, A universal method for regulating carbon microcrystalline structure for high-capacity sodium storage: binding energy as descriptor, ACS Nano 2023, 17, 23, 24012. https://doi.org/10.1021/acsnano.3c08889 5. Linna Li, Yu Lin, Yongming Xia, Di Lin, Xiang Yang, Jiaqi Fang, Xuehui Liu, Jiawen Chen, Xiong Yin*, Chenyan Ma*, Xiaoying Yan, Peng Xu, Rui Xu, Lipeng Zhang*, Zhihai Cheng, Leyu Wang*, Nano Letters 2023, 23,5123.https://doi.org/10.1021/acs.nanolett.3c01064 6. Chang Guo, Fuli Zhang, Xiao Han*, Lipeng Zhang*, Qian Hou, Lele Gong, Jincheng Wang, Zhenhai Xia, Jianhua Hao, Keyu Xie*, Intrinsic descriptor guided noble metal cathode design for Li‐CO2 battery, Advanced Materials 2023, 35, 2302325. https://doi.org/10.1002/adma.202302325 7. Lele Gong, Xiaowei Wang, Rahman Daiyan, Xiaofeng Zhu, Joshua Leverett, Zhiyao Duan, Lipeng Zhang, Rose Amal, Liming Dai, Zhenhai Xia, Origin and predictive principle for selective products of electrocatalytic carbon dioxide reduction, Journal of Materials Chemistry A 2023, 11, 15359.https://doi.org/10.1039/D3TA00336A 8. Dong Cao, Jie Shao, Yahui Cui, Lipeng Zhang, Daojian Cheng*, Interfacial Engineering of Copper–Nickel Selenide Nanodendrites for Enhanced Overall Water Splitting in Alkali Condition, Small 2023, 19, 2301613. https://doi.org/10.1002/smll.202301613 9. Dong Cao, Zhirong Zhang, Yahui Cui,Lipeng Zhang, Jie Zeng*, Daojian Cheng*, One-step approach for constructing high density single-atom catalysts toward overall water splitting at industrial current densities, Angewandte Chemie 2023, 135, e202214259. https://doi.org/10.1002/ange.202214259 10. Shuaishuai Xu, Yang Gao, Tao Liang, Lipeng Zhang*, Bin Wang*, N, O-coupling towards the selectively electrochemical production of H2O2. Chinese Chemical Letter2022, 33, 12, 5152-5157. https://doi.org/10.1016/j.cclet.2022.01.057 11. Jian Xiao, Nan Xiao*, Kai Li, Lipeng Zhang, Jianwei Chang, Xiaoqing Ma, Hongqiang Li, Jinpeng Bai, Qike Jiang, Jieshan Qiu*, Ultra-high fluorine enhanced homogeneous nucleation of lithium metal on stepped carbon nanosheets with abundant edge sites, Advanced Energy Materials2022, 12, 10, 2103123. https://doi.org/10.1002/aenm.202103123 12. Jian Xiao, Nan Xiao, Kai Li, Lipeng Zhang, Xiaoqing Ma, Yong Li, Changyu Leng, Jieshan Qiu, Sodium Metal Anodes with Self‐Correction Function Based on Fluorine‐Superdoped CNTs/Cellulose Nanofibrils Composite Paper, Advanced Functional Materials 2022, 32, 2111133. https://doi.org/10.1002/adfm.202111133 13. Lele Gong, Xiaowei Wang, Tao Zheng, Jerry Liu, Jie Wang, Yu-Chia Yang, Jing Zhang, Xiao Han, Lipeng Zhang*, and Zhenhai Xia*, Catalytic mechanism and design principle of coordinately unsaturated single metal atom-doped covalent triazine frameworks with high activity and selectivity for CO2 electroreduction, J. Mater. Chem. A 2021, 9, 3555. https://doi.org/10.1039/d0ta10875h 14. Wencheng Ouyang, Qiuming Zhi, Lele Gong, Hao Sun, Minghui Liu, Jing Zhang, Xiao Han, Zhenhai Xia*, Lipeng Zhang*, Rational design of boron-containing co-doped graphene as highly efficient electro-catalysts for the nitrogen reduction reaction,Journal of Materials Chemistry A2021, 9, 43, 24590. https://doi.org/10.1039/D1TA04327G
16. Fenghui Ye, LeLe Gong, Yongde Long, Siddulu Naidu Talapaneni, Lipeng Zhang, Ying Xiao, Dong Liu, Chuangang Hu*, Liming Dai*. Topological defect-rich carbon as a metal-free cathode catalyst for high-performance Li‐CO2 batteries. Advanced Energy Materials 2021, 11, 2101390. https://doi.org/10.1002/aenm.202170120
21. Lele Gong, Detao Zhang, Chun‐Yu Lin, Yonghao Zhu, Yang Shen, Jing Zhang, Xiao Han, Lipeng Zhang*, Zhenhai Xia*, Catalytic mechanisms and design principles for single-atom catalyst in highly efficient CO2 conversion, Advanced Energy Materials, 2019, 9 (44), 1902625. https://doi.org/10.1002/aenm.201902625 22. Lipeng Zhang, Chun‐Yu Lin, Detao Zhang, Lele Gong, Yonghao Zhu, Zhenghang Zhao, Quan Xu, Hejun Li, Zhenhai Xia*, Guiding principles for designing highly efficient metal-free carbon catalysts; Advanced Materials, 2019, 1805252. https://doi.org/10.1002/adma.201805252 23. Yonghao Zhu, Lele Gong, Detao Zhang, Xiaowei Wang, Jing Zhang, Lipeng Zhang*, Liming Dai,Zhenhai Xia*, Catalytic Origin and Universal Descriptors of Heteroatom-Doped Photocatalysts for Solar Fuel Production, Nano Energy, 2019, 63, 103819.https://doi.org/10.1016/j.nanoen.2019.06.015 24. Wei Cai, Ting Zhang, Meng Xu, Miaoran Zhang, Yongjian Guo, Lipeng Zhang*, Jason Street, Wee-Jun Ong*, Quan Xu*, Full color carbon dots through surface engineering for constructing white light-emitting diodes, Journal of Materials Chemistry C, 2019, 7, 2212. https://doi.org/10.1039/C9TC00274J 25. Detao Zhang, Jing Zhang, Lele Gong, Yonghao Zhu, Lipeng Zhang*, Zhenhai Xia*,Graphene-covered transition metal halide as efficient and durable electrocatalysts for oxygen reduction and evolution reactions, PCCP 2019, 21(41), 23094-23101. https://doi.org/10.1039/C9CP04618F 26. Jun Ma, Lele Gong, Yang Shen, Defeng Sun, Bowen Liu, Jing Zhang, Dong Liu*, Lipeng Zhang*, Zhenhai Xia*,Detrimental effects and prevention of acidic electrolytes on oxygen reduction reaction catalytic performance of heteroatom-doped graphene catalysts, Frontiers in Materials, 2019, 6, 294. https://doi.org/10.3389/fmats.2019.00294 27. Yonghao Zhu, Detao Zhang, Lele Gong, Lipeng Zhang*, Zhenhai Xia*, Catalytic activity origin and design principles of graphitic carbon nitride electrocatalysts for hydrogen evolution, Frontiers inMaterials, 2019, 6, 00016. https://doi.org/10.3389/fmats.2019.00016 28. Lipeng Zhang, Isaac Bredeson, Axiel Y Birenbaum, Paul RC Kent, Valentino R Cooper, P Ganesh, Haixuan Xu, Oxygen vacancy formation energies in PbTiO3/SrTiO3 superlattice, Physical Review Materials, 2018, 2, 064409. https://doi.org/10.1103/PhysRevMaterials.2.064409 29. Isaac Bredeson=, Lipeng Zhang=, P. R. C. Kent, Valentino R. Cooper, and Haixuan Xu, Dimensional control of defect dynamics in perovskite oxide superlattice, Physical Review Materials, 2018.3.8, 2(3): 035401. https://doi.org/10.1103/PhysRevMaterials.2.035401 30. Zhenghang Zhao=, Lipeng Zhang=, Chun‐Yu Lin=, Zhenhai Xia*, Design principles for heteroatom-doped carbon materials as metal-free catalysts,In Carbon-Based Metal-Free Catalysts, L. Dai (Ed.) 2018.https://doi.org/10.1002/9783527811458.vol1-ch1 31. Chun‐Yu Lin, Lipeng Zhang, Zhenghang Zhao, Zhenhai Xia*, Design principles for covalent organic frameworks as efficient electrocatalysts in clean energy coversion and green oxidizer production, Advanced materials,2017.5.3, 29(17): 1606635. https://doi.org/10.1002/adma.201606635 32. Di Yi*, Jian Liu*, Shang-Lin Hsu, Lipeng Zhang, Yongseong Choi, Jong-Woo Kim, Zuhuang Chen, James D Clarkson, Claudy R Serrao, Elke Arenholz, Philip J Ryan, Haixuan Xu, Robert J Birgeneau, Ramamoorthy Ramesh, Atomic-scale control of magnetic anisotropy via novel spin–orbit coupling effect in La2/3Sr1/3MnO3/SrIrO3 superlattices, PNAS 2016, 113, 23, 6397. https://doi.org/10.1073/pnas.152468911 33. Lipeng Zhang, Bin Liu, Houlong Zhuang, Paul RC Kent, Valentino R Cooper, Panchapakesan Ganesh, Haixuan Xu,Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations, Computational materials science, 2016. 6.1, 118: 309~315. https://doi.org/10.1016/j.commatsci.2016.02.041 34. Houlong L Zhuang, Lipeng Zhang, Haixuan Xu, PRC Kent, P Ganesh, Valentino R Cooper*, Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces; Scientific Report, 2016, 6, 25452. https://doi.org/10.1038/srep25452 35. Anli Shen=, Weijun Xia, Lipeng Zhang=, Shuo Dou, Zhenhai Xia*, Shuangyin Wang*, ChargeTransferInduced Activity of Graphene for Oxygen Reduction, Nanotechnology 2016, 27(18), 185402. 36. Zhenghang Zhao, Lipeng Zhang, Zhenhai Xia, Electron transfer and catalytic mechanism of organic molecule-adsorbed graphene nanoribbons as efficient catalysts for oxygen reduction and evolution reactions, J. Phys. Chem. C 2016, 120, 4, 2166.https://doi.org/10.1021/acs.jpcc.5b09611 37. Zhenghang Zhao=, Mingtao Li=, Lipeng Zhang=, Liming Dai, Zhenhai Xia*, Design Principles for Single and Dual Element-doped Carbon-based Bifunctional Catalysts for Fuel Cells and Metal-air Batteries, Advanced Materials, 2015.11.18, 27(43): 6834. https://doi.org/10.1002/adma.201503211 38. Lipeng Zhang, Quan Xu, Jianbing Niu, Zhenhai Xia*,Role of lattice defects in catalytic activities of graphene clusters for fuel cells, Physical chemistry chemical physics, 2015, 17(26): 16733~16743. https://doi.org/10.1039/C5CP02014J 39. Lipeng Zhang, Jianbing Niu, Mingtao Li, Zhenhai Xia*,Catalytic mechanisms of sulfur-doped graphene as efficient oxygen reduction reaction catalysts for fuel cells, Journal of physical chemistry C, 2014.2.20, 118(7): 3545~3553. https://doi.org/10.1021/jp410501u 40. Mingtao Li, Lipeng Zhang, Quan Xu, Jianbing Niu, Zhenhai Xia*,N-doped GrapheneasCatalysts for Oxygen Reduction and Oxygen Evolution Reactions: TheoreticalConsiderations,Journal of Catalysis 2014, 314, 66-72. https://doi.org/10.1016/j.jcat.2014.03.01 41. In‐Yup Jeon=, Sheng Zhang=, Lipeng Zhang=, Hyun‐Jung Choi, Jeong‐Min Seo, Zhenhai Xia*, Liming Dai*, Jong‐Beom Baek*, Edge-Selectively Sulfurized Graphene Nanoplatelets as Efficient Metal-Free Electrocatalysts for Oxygen Reduction Reaction: The Electron Spin Effect, Advanced materials,2013.11, 25(42): 6138~6145. https://doi.org/10.1002/adma.201302753 42. Lipeng Zhang, Jianbing Niu, Liming Dai, Zhenhai Xia*,Effect of Microstructure of Nitrogen-Doped Graphene on Oxygen Reduction Activity in Fuel Cells, Langmuir, 2012.5.15, 28(19): 7542~7550. https://doi.org/10.1021/la2043262 43. Shuangyin Wang, Lipeng Zhang, Zhenhai Xia, Ajit Roy, Dong Wook Chang, Jong‐Beom Baek, Liming Dai*, BCN Graphene as Efficient Metal- free Electrocatalyst for Oxygen Reduction Reaction, Angewandte chemie-international edition, 2012, 51(17): 4209~4212. https://doi.org/10.1002/ange.201109257 44. Lipeng Zhang, Zhenhai Xia*, Mechanisms of oxygen reduction reaction on nitrogen-doped graphene for fuel cells, Journal of physical chemistry C, 2011.6.9, 115(22): 11170~11176.https://doi.org/10.1021/jp201991j AwardsPatentHonor RewardAdmissions Information |