个人简历

1993年9月至1997年7月 上海交通大学获得化学本科学位\r
1997年9月至2000年1月 上海交通大学获得化学硕士学位\r
2000年2月至2003年2月 Queens University Belfast获得理论化学博士学位\r
2003年2月至2005年8月 University of Cambridge 博士后\r
2005年8月 复旦大学工作 教授

研究领域

"""""物理化学，催化，理论化学"

近期论文

Shu-Hui Guan, Ke-Xiang Zhang, Cheng Shang*, Zhi-Pan Liu*, “Stability and Anion Diffusion Kinetics of Yttria-stabilized Zirconia Resolved from Machine Learning Global Potential Energy Surface Exploration” ,J. Chem. Phys., 2020, 152, 094703 (pdf) (SI) (invited for special issue oxide materials)\r
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Li-Fen Li, Ye-Fei Li*, Zhi-Pan Liu*, “Oxygen Evolution Activity on NiOOH catalysts: Four-Coordinated Ni Cation as Active Site and Hydroperoxide mechanism” , ACS Catal., 2020, 10, 2581 (pdf) (SI)\r
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Pei-Lin Kang, Cheng Shang*, Zhi-Pan Liu* , “Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning based Reaction Sampling” , J. Am. Chem. Soc., 2019, 141, 20525 (pdf) (SI)\r
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Si-Da Huang, Cheng Shang*, Zhi-Pan Liu* , “Ultrasmall Gold Clusters Supported on Pristine and Defected Ceria: Structure and Stability” ,J. Chem. Phys., 2019, 151, 174702 (invited for special issue supported catalyst) (pdf) (SI)\r
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Lin Chen, Ling-Ran Zhang, Ling-Yan Yao, Ya-Hui Fang, Lin He, Guang-Feng Wei* , Zhi-Pan Liu* , “Metal Boride Better Than Pt: HCP Pd2B as Superactive Hydrogen Evolution Reaction Catalyst” , Energy Environ. Sci., 2019, 12, 3099 (Experimental proof for Pd2B catalyst) (pdf) (SI)\r
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Ya-Hui Fang*, Si-Cong Ma, Zhi-Pan Liu* , “3-D Tunnel TiO2 Crystal phase as Fast-Charging Lithium Battery Anode from Stochastic Surface Walking Based Material Screening” , J. Phys. Chem. C, 2019, 123, 19347 (pdf) (SI)\r
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Si-Cong Ma, Cheng Shang*, Zhi-Pan Liu* , “Perspective: Heterogeneous Catalysis from Structure to Activity via SSW-NN Method” , J. Chem. Phys., 2019, 151, 050901 (invited Perspective, Featured by JCP) (pdf)\r
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Fan-Chen Kong, Ye-Fei Li, Cheng Shang, Zhi-Pan Liu* , “Stability and Phase Transition of Cobalt Oxide Phases by Machine Learning Global Potential Energy Surface” , J. Phys. Chem. C, 2019, 123, 17539 (pdf) (SI)\r
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Li-Fen Li, Ye-Fei Li*, Zhi-Pan Liu* , “CO2 Photoreduction via Quantum Tunneling: Thin-TiO2-Coated GaP with Coherent Interface to Achieve Electron Tunneling” , ACS Catal., 2019, 9, 5668 (pdf) (SI)\r
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Si-Fong Ma, Si-Da Huang, Zhi-Pan Liu* , “Dynamic Coordination of Cations and Catalytic Selectivity on Zn-Cr oxide Alloy during Syngas Conversion” , Nat. Catal., 2019, 2, 671 (pdf) (SI)\r
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Cheng Shang, Zhi-Pan Liu* , “Stochastic Surface Walking Method and Applications to Real Materials” , Chapter in ©Springer Nature Switzerland AG 2019, W. Andreoni, S. Yip (eds.), Handbook of Materials Modeling,\r
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Si-Da Huang, Cheng Shang*, Pei-Lin Kang, Xiao-Jie Zhang, Zhi-Pan Liu* , “LASP: Fast Global Potential Energy Surface Exploration” , WIREs Comput Mol Sci., 2019, e1415 https://doi.org/10.1002/wcms.1415\r
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Cheng Shang*, Si-Da Huang, Zhi-Pan Liu* , “Massively Parallelization Strategy for Material Simulation Using High-Dimensional Neural Network Potential” , J. Comp. Chem., 2019, 40, 1091 DOI: 10.1002/jcc.25636 pdf) (invited article)\r
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Xu Zhang, Jiao Sun, Guang-Feng Wei,* Zhi-Pan Liu, Hui-Min Yang, Kai-Min Wang, Hong-Han Fei, “In Situ Generation of an N-Heterocyclic Carbene Functionalized Metal–Organic Framework by Postsynthetic Ligand Exchange: Efficient and Selective Hydrosilylation of CO2″ , Angew. Chem. Int. Ed., 2019, 58, 1 ( DOI: 10.1002/anie.201813064)\r
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Shu-Hui Guan, Cheng Shang*, Si-Da Huang, Zhi-Pan Liu* , “Two-Stage Solid-Phase Transition of Cubic Ice to Hexagonal Ice: Structural Origin and Kinetics” , J. Phys. Chem. C, 2018, 122, 29009 (10.1021/acs.jpcc.8b08896) (pdf)\r
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Si-Da Huang, Cheng Shang, Pei-Lin Kang, Zhi-Pan Liu* , “Atomic Structure of Boron Resolved using Machine Learning and Global Sampling“, Chem. Sci., 2018, 9, 8644 (DOI: 10.1039/C8SC03427C) (pdf)(SI)\r
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Guang-Feng Wei*, Lin-Ran Zhang, Zhi-Pan Liu* , “Group-VIII Transition Metal Boride as promising Hydrogen Evolution Reaction Catalysts “, Phys. Chem. Chem. Phys., 2018, 20, 27752 (pdf)\r
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Si-Cong Ma, Si-Da Huang, Ya-Hui Fang, Zhi-Pan Liu* , “TiH Hydride Formed on Amorphous Black Titania: Unprecedented Active Species for Photocatalytic Hydrogen Evolution “, ACS Catal., 2018, 8, 9711 (pdf) (SI)\r
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Dong Wang, Zhi-Pan Liu*, Wei-Ming Yang* , “Revealing the Size Effect of Platinum Cocatalyst for Photocatalytic Hydrogen Evolution on TiO2 Support: A DFT Study“, ACS Catal., 2018, 8, 7270 (pdf)\r
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Ye-Fei Li*, Zhi-Pan Liu*, ”Active-Site Revealed for Water Oxidation on Electrochemically Induced d-MnO2: Role of Spinel-to-layer Phase Transition”, J. Am. Chem. Soc., 2018, 140, 1783 (pdf) (SI)\r
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Si-Mong Ma, Si-Da Huang, Ya-Hui Fang, Zhi-Pan Liu* “Microporous Titania Crystals with Penta-Oxygen Coordination”, ACS Appl. Energy Mater., 2018, 1,22 (pdf) (SI)