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孙耿，重庆大学化学与化工学院 副教授 个人简历： 2022至今 必赢线路检测中心 副教授 2016-2021 加州大学洛杉矶分校 博士后 （合作导师: Prof. Philippe Sautet) 2011-2016 北京大学 化学与分子工程学院 物理化学博士 （导师：蒋鸿 教授） 2007-2011 北京大学 化学与分子工程学院 化学学士
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联系方式
Email：sungengemail@cqu.edu.cn
研究方向
1. 采用密度泛函方法研究固体-气体、固体-液体界面的原子、电子结构和化学反应机理
2. 程序算法开发用于自动化结构和反应机理研究
3. 机器学习方法在材料和化学反应中的应用
代表性论文、专著和专利
1. Geng Sun, Philippe Sautet, Active Site Fluxional Restructuring as a New Paradigm in Triggering Reaction Activity for Nanocluster Catalysis, Acc. Chem. Res. 2021, 54, 3841-3849
2. Fang Liu#, Geng Sun#, Hao Bin Wu, Gen Chen, Duo Xu, Runwei Mo, Li Shen, Xianyang Li, Shengxiang Ma, Ran Tao, Xinru Li, Xinyi Tan, Bin Xu, Ge Wang, Bruce S. Dunn, Philippe Sautet & Yunfeng Lu, Dual redox mediators accelerate the electrochemical kinetics of lithium-sulfur batteries, Nat. Commun. 2020, 11, 5215
3. Bing Zhang#, Geng Sun#, Shipeng Ding#, Hiroyuki Asakura, Jia Zhang, Philippe Sautet, Ning Yan, Atomically Dispersed Pt1–Polyoxometalate Catalysts: How Does Metal–Support Interaction Affect Stability and Hydrogenation Activity? J. Am. Chem. Soc. 2019, 141, 20, 8185–8197
4. Geng Sun, Philippe Sautet, Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity, J. Am. Chem. Soc. 2018, 140, 8, 2812–2820
5. Geng Sun, Jack T. Fuller III, Anastassia N. Alexandrova, Philippe Sautet, Global Activity Search Uncovers Reaction Induced Concomitant Catalyst Restructuring for Alkane Dissociation on Model Pt Catalysts, ACS Catal. 2021, 11, 1877-1885
6. Geng Sun, Anastassia N Alexandrova, Philippe Sautet, Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation, ACS Catal. 2020, 10, 9, 5309–5317
7. Geng Sun, Philippe Sautet, Toward Fast and Reliable Potential Energy Surfaces for Metallic Pt Clusters by Hierarchical Delta Neural Networks, J. Chem. Theory Comput. 2019, 15, 10, 5614–5627
8. Geng Sun, Anastassia N Alexandrova, Philippe Sautet, Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization, J Chem. Phys. 2019, 151, 194703
9. Geng Sun, Hong Jiang, Ab initio molecular dynamics with enhanced sampling for surface reaction kinetics at finite temperatures: CH2=CH + H on Ni(111) as a case study, J. Chem. Phys., 2015, 143, 23, 234706
团队仪器设备
