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Zi-Xing Guo, Guo-Liang Song*, Zhi-Pan Liu*, Artificial Intelligence Driven Molecule Adsorption Prediction (AIMAP) Applied to Chirality Recognition of Amino Acids Adsorption on Metals'', Chem. Sci., 2024, minor revision
Xiao Yang, Cheng Shang*, Zhi-Pan Liu*, "Generalized Mechanism for the Solid Phase Transition of M2O3 (M=Al, Ga) Featuring Single Cation Migration and Martensitic Lattice Transformation'', Chin. J. Chem. Phys., 2024, in press
Zheng-Yang Hu, Ling-Heng Luo, Cheng Shang*, Zhi-Pan Liu*, 'Free Energy Pathway Exploration of Catalytic Formic Acid Decomposition on Pt-group Metals in Aqueous Surroundings', ACS Catal., 2024, 14, 7684
Yunru Shia#, Yi-Fan Hu#, Jinyu Ye, Gang Zhong, Chungu Xia, Zhi-Pan Liu*, Yang Huang* and Lin He*, 'Stabilization of Pd0 by Cu Alloying: Theory-guided Design of Pd3Cu Electrocatalyst for Anodic Methanol Carbonylation', Angew Chem. Int. Ed., 2024, https://doi.org/10.1002/anie.202401311
Meijia Xu#, Zheng-Yang Hu#, Xiaoyang Liang, Yifan Zhu, Honghe Ding, Jun Hu, Jinfeng Xu,Zhen Zhu, Zi-ang Wu, Xinwei Zhao, Weijun Guo, Kaiqi Nie, Yifan Ye, Junfa Zhu, Zhi-PanLiu*, Xiong Zhou*,Kai Wu*, 'Selective Cleavage of α-Olefins to Produce Acetylene and Hydrogen', J. Am. Chem. Soc. , 2024, 146, 12850 (https://doi.org/10.1021/jacs.4c03524 )
Yao Peng, Xia-Lan Si, Cheng Shang*, Zhi-Pan Liu*, 'Abundance of Low-Energy Oxygen Vacancy Pairs Dictates the Catalytic Performance of Cerium-Stabilized Zirconia', J. Am. Chem. Soc., 2024, 146, 10822 https://doi.org/10.1021/jacs.4c01285
Dongxiao Chen#, Lin Chen#, Qian-Cheng Zhao, Zheng-Xin Yang, Cheng Shang, Zhi-Pan Liu*, 'Square-pyramidal Subsurface Oxygen [Ag4OAg] Drives Selective Ethene Epoxidation on Silver', Nature Catalysis, 2024, https://doi.org/10.1038/s41929-024-01135-2
Dongxiao Chen#, Lin Chen#, Qian-Cheng Zhao, Zheng-Xin Yang, Cheng Shang, Zhi-Pan Liu*, 'Square-pyramidal Subsurface Oxygen [Ag4OAg] Spurring Selective Ethene Epoxidation on Silver', Nature Catalysis, 2024,
Yikun Kang, Ye-Fei Li*, Zhi-Pan Liu*, 'Unveiling Curvature Effect on Fe Atom Embedded N-Doped Carbon Nanotubes for Electrocatalytic Oxygen Reduction Reactions Using Hybrid Quantum-Mechanics/Machine-Learning Potential', J. Phys. Chem. C. , 2024,
Shu-Hui Guan, Ye-Fei Li, Zhi-Pan Liu*, 'Structural Origin for the Enhanced Photocatalysis of Zr-Ti Oxide Composites from Machine Learning', J. Phys. Chem. C. , 2023, 46, 22537
Pei-Lin Kang, Zheng-Xin Yang, Cheng Shang*, Zhi-Pan Liu*, 'Global Neural Network Potential with Explicit Many-body Functions for Improved Descriptions of Complex Potential Energy Surface', J. Chem. Theory Comput. , 2023, 21, 7972
Yun-Fei Shi, Sicong Ma*; Zhi-Pan Liu*, 'Copper-based Catalysts for CO2 Hydrogenation: A Perspective on the Active Site', EES Catal., 2023, 1, 921
Qian-Yu Liu, Dongxiao Chen, Cheng Shang*; Zhi-Pan Liu*, 'Optimal Fe-C Coordination Ensemble for Hydrocarbon Chain Growth: A Full Fischer-Tropsch Synthesis Mechanism from Machine Learning', Chem. Sci., 2023, 14, 9461
Sicong Ma; Cheng Shang; Zhi-Pan Liu*, 'Destruction and Preservation of Nonstoichiometric ZnCr Oxide Catalyst from Machine-Learning Simulation', J. Catal., 2023, 426, 294
Liu-Peng Zhao, Sheng-Ye Zhang, Hua-Kui Liu, Yu-Jing Cheng, Zhi-Pan Liu*, Lijia Wang*, and Yong Tang*, 'Insights into Stereoselectivity Switch in Michael Addition-Initiated Tandem Mannich Cyclizations and Their Extension from Enamines to Vinyl Ethers', J. Am. Chem. Soc., 2023, 145, 15553
Yi-Fan Hu, Ye-Fei Li*, Zhi-Pan Liu*, 'Structural Origin for Efficient Photoelectrochemical Water Splitting over Fe-modified BiVO4', ACS Catal., 2023, 13, 10167
Yun-Fei Shi#, Zheng-Xin Yang#, Sicong Ma, Pei-Lin Kang, Cheng Shang, P. Hu*, Zhi-Pan Liu*, 'Machine Learning for Chemistry: Basics and Applications ', Engineering, 2023,
Ke-Xiang Zhang Zhi-Pan Liu*, 'Electrochemical Hydrogen Evolution on Pt-based Catalysts from a Theoretical Perspective', J. Chem. Phys., 2023, 158, 141002
Jili Li, Ye-Fei Li*, Zhi-Pan Liu*, 'In situ Structure of Mo-doped Pt-Ni Catalyst during Electrochemical Oxygen Reduction Resolved from Machine Learning Based Grand Canonical Global Optimization', JACS Au, 2023, 3, 1162
Dongxiao Chen, Cheng Shang, Zhi-Pan Liu*, 'Machine-Learning Atomic Simulation for Heterogeneous Catalysis', npj Computational Materials, 2023, 9, 2
Yanwei Cao, Yao Peng, Danyang Cheng, Lin Chen, Maolin Wang, Cheng Shang, Lirong Zheng, Ding Ma*, Zhi-Pan Liu*, Lin He*, 'Room-temperature CO Oxidative Coupling for Oxamides Production over Interfacial Au/ZnO Catalysts', ACS Catal., 2022, 13, 735
Lin Chen#, Xiao-Tian Li#, Sicong Ma, Yi-Fan Hu, Cheng Shang, Zhi-Pan Liu*, 'Highly Selective Low-Temperature Acetylene Semihydrogenation Guided by Multi-scale Machine Learning', ACS Catal., 2022, 12, 14872
Yuxi Fang, Xi Liu, Zhipan Liu*, Lu Han*, Jing Ai, Gui Zhao, Osamu Terasaki, Cunhao Cui, Jiuzhong Yang, Chengyuan Liu, Zhongyue Zhou,* Liwei Chen and Shunai Che*, 'Synthesis of amino acids by electrocatalytic reduction of CO2 on chiral Cu surfaces', Chem, 2022, https://doi.org/10.1016/j.chempr.2022.10.017
Huibo Zhao, Ruofan Yu, Sicong Ma, Kaizhuang Xu, Yang Chen, Kun Jiang, Yuan Fang, Caixia Zhu, Xiaochen Liu, Yu Tang, Lizhi Wu, Yingquan Wu, Qike Jiang, Peng He, Zhipan Liu*, Li Tan*, 'The Role of Cu1-O3 Species in Single-Atom Cu Catalyst for Directional Methanol Synthesis from CO2 Hydrogenation', Nature Catal., 2022, 5, 818
Mao Su, Ji-Hui Yang, Zhi-Pan Liu, and Xin-Gao Gong*, 'Exploring Large-Lattice-Mismatched Interfaces with Neural Network Potentials: The Case of the CdS/CdTe Heterostructure',J. Phys. Chem. C, 2022, 126, 31
Yun-Fei Shi, Pei-Lin Kang, Cheng Shang*, Zhi-Pan Liu*, 'Methanol Synthesis from CO2/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search',J. Am. Chem. Soc., 2022, 144, 13401
Pei-Lin Kang, Yun-Fei Shi, Cheng Shang, Zhi-Pan Liu*, 'Artificial Intelligence Pathway Search to Resolve Catalytic Glycerol Hydrogenolysis Selectivity', Chem. Sci, 2022, 13, 8148 (DOI: 10.1039/D2SC02107B)
Ling-Heng Luo, Si-Da Huang, Cheng Shang*, Zhi-Pan Liu*, 'Resolving Activation Entropy of CO Oxidation under the Solid–Gas and Solid–Liquid Conditions from Machine Learning Simulation ',ACS Catal. 2022, 12, 6265
Ye-Fei Li*, Zhi-Pan Liu*, 'Smallest stable Si/SiO2 interface that suppresses quantum tunneling from machine-learning-based global search ', Phys. Rev. Lett. 2022, 128, 226102
Sheng-Cai Zhu, Gu-wen Chen, Dongzhou Zhang; Liang Xu, Zhi-Pan Liu; Ho-kwang Mao; Qingyang, Hu, 'Topological ordering of memory glass in extended length scales ',J. Am. Chem. Soc. 2022, 16, 7414
Sicong Ma, Zhi-Pan Liu*, 'Machine Learning Potential Era of Zeolite Simulation ',Chem. Sci, 2022, 13, 5055 (https://doi.org/10.1039/D2SC01225A)
Qian-Yu Liu, Cheng Shang*, Zhi-Pan Liu*, 'In situ Active Site for Fe-Catalyzed Fischer-Tropsch Synthesis: Recent Progresses and Future Challenges ',J. Phys. Chem. Lett., 2022, 13, 3342
Feng Li, Xiaobin Cheng, Leilei Lu, Yichen Yin, Jinda Luo, Gongxun Lu, Yufeng Meng, Hongsheng Mo, Te Tian, Jingtian Yang, Wen Wen, Zhi-Pan Liu, Guozhen Zhang*, Cheng Shang*, Hong-Bin Yao*, 'Stable All-Solid-State Lithium Metal Batteries Enabled by MachineLearning Simulation Designed Halide Electrolytes', Nano Lett., 2022,22, 2461
Sicong Ma, Zhi-Pan Liu*, 'Zeolite-Confined Subnanometric PtSn Mimicking Mortise-and-tenon Joinery for Catalytic Propane Dehydrogenation ', Nature Comm., 2022, 13, 2716
Dongxiao Chen, Cheng Shang, Zhi-Pan Liu*, 'Automated Search for Optimal Surface Phases (ASOP) in Grand Canonical Ensemble Powered by Machine Learning ',J. Chem. Phys., 2022, 156, 094104
Xiao-Tian Li, Lin Chen, Cheng Shang, Zhi-Pan Liu*, 'Controlling Selectivity in Alkyne Semihydrogenation: Recent Progress from Experiment and Theory ',Chin. J. Catal., 2022, 43, 1991
Sicong Ma, Zhi-Pan Liu* , “The Role of Zeolite Framework in Zeolite Stability and Catalysis from Recent Atomic Simulation” , Top. Catal. 2022, 65, 59
Daofeng Huang,Siyue Chen, Sicong Ma, Xin Chen, Yuanhang Ren, Meiyin Wang, Lin Ye, Li Zhang, Xueying Chen, Zhi-Pan Liu, Bin Yue, and Heyong He, 'Determination of Acid Structures on the Surface of Sulfated Mono- clinic and Tetragonal Zirconia through Experimental and Theoretical Approaches',Catalysis Science & Technology, 2021, 12, 596
Ye-Fei Li*, Ji-Li Li, and Zhi-Pan Liu*, 'Structure and Catalysis of NiOOH: Recent Advances on Atomic Simulation',J. Phys. Chem. C., 2021, 125, 27033
Chao Lin, Ji-Li Li, Xiaopeng Li*, Shuai Yang, Wei Luo, Sung-Hae Kim, Dong-Hyung Kim, Sambhaji S. Shinde, Ye-Fei Li, Zhi-Pan Liu*, Zheng Jiang*, and Jung-Ho Lee*, 'In-situ reconstructed Ru atom array on α-MnO2 with enhanced performance for acidic water oxidation',Nature Catal., 2021, 4, 1012
Jianan Li, Jili Li, Tao Liu, Lin Chen, Yefei Li,* Hualin Wang, Xiurong Chen, Ming Gong,* Zhi-Pan Liu, and Xuejing Yang*, 'Deciphering and Suppressing Over-Oxidized Nitrogen in Nickel- Catalyzed Urea Electrolysis',Angew. Chem. Int. Ed., 2021, 60, 2
Peter S. Rice, Zhi-Pan Liu, and P. Hu*, 'Hydrogen Coupling on Platinum Using Artificial Neural Network Potentials and DFT',J. Phys. Chem. Lett., 2021, 12, 10637
Pei-Lin Kang, Cheng Shang*, Zhi-Pan Liu*, 'Recent Implementations in LASP 3.0: Global Neural Network Potential with Multiple Elements and Better Long-Range Description',Chin. J. Chem. Phys., 2021, 34, 583
Ze-Yi Zhu; Ye-Fei Li*; Cheng Shang; Zhi-Pan Liu* , “Thermodynamics and Catalytic Activity of Ruthenium Oxides Grown on Ruthenium Metal from Machine Learning Atomic Simulation” ,J. Phys. Chem. C 2021, 125, 17088
Qian-Yu, Liu; Cheng, Shang*; Zhi-Pan Liu* , “In situ Active Site for CO Activation in Fe-catalyzed Fischer-Tropsch Synthesis from Machine Learning” ,J. Am. Chem. Soc. 2021 , 143, 11109?11120
Dongxiao, Chen; Pei-Lin, Kang; Zhi-Pan Liu* , “Active Site of Catalytic Ethene Epoxidation: Machine-Learning Global Pathway Sampling Rules Out the Metal Sites” ,ACS Catal. 2021, 11, 8317
Shu-Hui Guan, Cheng Shang*, Zhi-Pan Liu* , “Structure and Dynamics of Energy Materials from Machine Learning Simulations: A Topical Review” ,Chin. J. Chem. 2021, 39, 3144
Ya-Hui, Fang*; Dandan, Song; Hui-Xia, Li; Zhi-Pan Liu* , “Structure and Activity of Potential-dependent Pt(110) Surface Phases Revealed from Machine-learning Atomic Simulation” ,J. Phys. Chem. C 2021, 125, 10955
Xiao-Tian Li#, Li Chen#, Cheng Shang, Zhi-Pan Liu* , “In Situ Surface Structures of PdAg Catalyst and Their Influence on Acetylene Semihydrogenation Revealed by Machine Learning and Experiment” ,J. Am. Chem. Soc. 2021, 143, 6281–6292
Shu-Hui Guan, Zhi-Pan Liu* , “Theoretical Aspects on Doped-Zirconia for Solid-Oxide Fuel Cells: from Structure to Conductivity” ,Chin. J. Chem. Phys. 2021, 34, 125-136.
Siyue Chen, Sicong Ma, Zhi-Pan Liu* , “Zirconia-Supported ZnO Single Layer for Syngas Conversion Revealed from Machine-Learning Atomic Simulation” ,J. Phys. Chem. Lett. 2021, 12, 3328
Dongfang Cheng, Zhi-Jian Zhao, Gong Zhang, Piaoping Yang, Lulu Li, Hui Gao, Sihang Liu, Xin Chang, Sai Chen, Tuo Wang, Geoffrey A. Ozin, Zhipan Liu & Jinlong Gong, “The nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts” ,Nature Comm. 2021, 12, 395
Qiuxian Chen, Wenwen Xin, Qiaozhen Ji, Ting Hu, Jun Zhang, Cheng Shang, Zhipan Liu, Xueyang Liu*, and Hongyu Chen* , “Ultrasonic Bending of Silver Nanowires” ,ACS nano 2021, 14, 15286
Yaming Hao, Yefei Li*, Jianxiang Wu, Lingshen Meng, Jinling Wang, Chenglin Jia, Tao Liu, Xuejing Yang*, Zhi-Pan Liu, and Ming Gong* , “Recognition of Surface Oxygen Intermediates on NiFe Oxyhydroxide Oxygen-Evolving Catalysts by Homogeneous Oxidation Reactivity” ,J. Am. Chem. Soc. 2021, 143, 1493
Yao Peng, Cheng Shang*, Zhi-Pan Liu* , “The Dome of Gold Nanolized for Catalysis” ,Chem. Sci. 2021, 12, 5664-5671
Pei-Lin Kang, Zhi-Pan Liu* , “Reaction Prediction via Atomic Simulation: from Quantum Mechanics to Machine Learning” ,iScience 2021, 24, 102013
李晔飞*, 刘智攀* , “固体异质结界面结构预测方法及 AutoInterface 程序实现” ,高等学校化学学报 2020, 11, 3383 （邀稿）
Sicong Ma, Zhi-Pan Liu* , “Machine Learning for Atomic Simulation and Activity Prediction in Heterogeneous Catalysis: Current Status and Future” ,ACS Catal. 2020, 10, 13213
马思聪, 刘智攀* , “神经网络全局势函数在多相催化中的应用” ,化工进展 2020, 39(9), 3433 (特约评述)
Pei-Lin Kang, Cheng Shang*, Zhi-Pan Liu* , “Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration” ,Acc. Chem. Res.2020, 53, 10, 2119
Sicong Ma, Cheng Shang, Chuan-Ming Wang*, Zhi-Pan Liu* , “Thermodynamic Rules for Zeolite Formation from Machine Learning based Global Optimization” ,Chem. Sci. 2020, 11, 10113, DOI: 10.1039/D0SC03918G
Xiao-Tian Li#, Lin Chen#, Guangfeng Wei, Cheng Shang, Zhi-Pan Liu* , “Sharp Increase in Catalytic Selectivity in Acetylene Semihydrogenation on Pd Achieved by a Machine Learning Simulation-Guided Experiment” ,ACS Catal. 2020, 10, 9694
Sicong Ma, Pei-Lin Kang, Cheng Shang, Zhi-Pan Liu* , “Machine Learning for Heterogeneous Catalysis: Global Neural Network Potential from Construction to Applications” ,Chapter 19, Theoretical and Computational Chemistry Series No. 17, Machine Learning in Chemistry: The Impact of Artificial Intelligence, Edited by Hugh M. Cartwright, Published by the Royal Society of Chemistry, https://doi.org/10.1039/9781839160233
Shu-Hui Guan, Cheng Shang*, Zhi-Pan Liu*, “Resolving the Temperature and Composition Dependence of Ion Conductivity for Yttria-Stabilized Zirconia from Machine Learning Simulation” ,J. Phys. Chem. C, 2020, 124, 15085
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
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
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
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
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
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
Sicong Ma, Cheng Shang*, Zhi-Pan Liu* , “Heterogeneous Catalysis from Structure to Activity via SSW-NN Method” , J. Chem. Phys., 2019, 151, 050901
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
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
Sicong Ma, Si-Da Huang, Zhi-Pan Liu* , “Dynamic Coordination of Cations and Catalytic Selectivity on Zn-Cr oxide Alloy during Syngas Conversion” , Nature Catal., 2019, 2, 671
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,https://doi.org/10.1007/978-3-319-50257-1_75-1
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
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
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)
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)
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)
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
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
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
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
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
Cheng Shang*, Xiao-Jie Zhang, Zhi-Pan Liu*, “Crystal Phase Transition of Urea: What Governs the Reaction Kinetics in Molecular Crystal Phase Transition”, Phys. Chem. Chem. Phys., 2017, 19, 32125
Yue-Yu Zhang, Li Lang, ;Hui-Jun Gu, Shi-You Chen, Zhi-Pan Liu, Hong-Jun Xiang, Xin-Gao Gong, “Origin of the type-II band offset between rutile and anatase titanium dioxide: Classical and quantum-mechanical interactions between O ions”, Physical Review B,2017, 95, 155308
Zi-Fei Yuan, Wei-Na Zhao, Zhi-Pan Liu*,Bo-Qing Xu, “NaOH alone can be a homogeneous catalyst for selective aerobic oxidation of alcohols in water”, J. Catal., 2017, 353, 37
De-Yan Sun, Cheng Shang, Zhi-Pan Liu*, Xin-Gao Gong, “Intrinsic Features of an Ideal Glass”, Chin. Phys. Lett., 2017, 34, 026402
Si-Da Huang, Cheng Shang, Xiao-Jie Zhang, Zhi-Pan Liu*, “Material Discovery by Combining Stochastic Surface Walking Global Optimization with Neural Network”, Chem. Sci.,2017, 8, 6327
Xiao-Jie Zhang, Cheng Shang, Zhi-Pan Liu *, “Stochastic Surface Walking Reaction Sampling for Resolving Heterogeneous Catalytic Reaction Network: a Revisit to the Mechanism of Water-Gas Shift Reaction on Cu”, J. Chem. Phys.,2017, 147, 152706
Wen-Xiong Song, Zhi-Pan Liu*, Li-Min Liu, “Inherent Simple Cubic Lattice Being Responsible for Ultrafast Solid Phase Change of Ge2Sb2Te5″, J. Phys. Chem. Lett., 2017, 8, 2560
Zi-Yang Wei, Cheng Shang, Xiao-Jie Zhang, Zhi-Pan Liu*, “Glassy nature and glass-to-crystal transition in binary metallic glass CuZr”, Phys. Rev. B, 2017, 95, 214111,
Dong Wang, Zhi-Pan Liu*, Wei-Ming Yang*,” Proton Promoted Electron Transfer in Photocatalysis: Key Step for Photocatalytic Hydrogen Evolution on Metal/Titania Composites“, ACS Catal.,2017, 7, 2744
Yao-Ping Xie, Xiao-Jie Zhang, Zhi-Pan Liu * , “Graphite to Diamond: Origin for Kinetics Selectivity”, J. Am. Chem. Soc.,2017, 139, 2545
Li-Min Zhang, Fang-ling Liu, Xue-Mei Sun, Guang-Feng Wei, Yang Tian* , Zhi-Pan Liu*, Rong Huang, Yan-Yan Yu, Hui-Sheng Peng*, “Engineering Carbon Nanotube Fiber for Real-Time Quantification of Ascorbic Acid Levels in a Live Rat Model of Alzheimer’s Disease”, Anal. Chem., 2017, 89, 1831
Xiao-Jie Zhang, Cheng Shang, Zhi-Pan Liu*, “Pressure-induced Silica Quartz Amorphization Studied by Iterative Stochastic Surface Walking Reaction Sampling”, Phys. Chem. Chem. Phys.,2017,19, 4725
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