计算化学，（光）电化学，理论催化

2014-10--2017-11   阿伯丁大学   博士
2010-09--2014-07   华东理工大学   学士

   

（1） A trace of Pt can significantly boost RuO2 for acidic water splitting, CHINESE JOURNAL OF CATALYSIS, 2022, 第 2 作者
（2） Face-centered cubic structured RuCu hollow urchin-like nanospheres enable remarkable hydrogen evolution catalysis, Face-centered cubic structured RuCu hollow urchin-like nanospheres enable remarkable hydrogen evolution catalysis, SCIENCE CHINA-CHEMISTRY, 2022, 第 2 作者
（3） Unraveling molecular structures and ion effects of electric double layers at metal water interfaces, CELL REPORTS PHYSICAL SCIENCE, 2022, 通讯作者
（4） Modeling electrified metal/water interfaces from ab initio molecular dynamics: Structure and Helmholtz capacitance, CURRENT OPINION IN ELECTROCHEMISTRY, 2021, 第 1 作者
（5） Recent Progress toward Ab Initio Modeling of Electrocatalysis, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 第 1 作者
（6） Modeling Electrified Pt(111)-H-ad/Water Interfaces from Ab Initio Molecular Dynamics, JACS AU, 2021, 第 1 作者
（7） Linear Correlation between Water Adsorption Energies and Volta Potential Differences for Metal/water Interfaces, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 通讯作者
（8） In Situ Raman Study of CO Electrooxidation on Pt(hkl) Single-Crystal Surfaces in Acidic Solution, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, 第 3 作者
（9） Simple Transformation of Covalent Organic Frameworks to Highly Proton-Conductive Electrolytes, ACS APPLIED MATERIALS & INTERFACES, 2020, 第 2 作者
（10） Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface, SCIENCE ADVANCES, 2020, 第 1 作者
（11） Modeling electrochemical interfaces from ab initio molecular dynamics: water adsorption on metal surfaces at potential of zero charge, CURRENT OPINION IN ELECTROCHEMISTRY, 2020, 第 1 作者
（12） How cations determine the interfacial potential profile: Relevance for the CO2 reduction reaction, ELECTROCHIMICA ACTA, 2019, 第 3 作者
（13） In situ probing electrified interfacial water structures at atomically flat surfaces, NATURE MATERIALS, 2019, 第 2 作者
（14） In situ Spectroscopic Insight into the Origin of the Enhanced Performance of Bimetallic Nanocatalysts towards the Oxygen Reduction Reaction (ORR), ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2019, 第 2 作者
（15） The structure of metal-water interface at the potential of zero charge from density functional theory-based molecular dynamics, JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 2018, 第 1 作者
（16） Theoretical insight into the vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 第 1 作者
（17） Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics, PHYSICAL REVIEW LETTERS, 2017, 第 1 作者

（1） Ab initio modeling of electrochemical interfaces and determination of electrode potentials, John Wiley & Sons Ltd, 2022-01, 第 1 作者

   

（ 1 ） 金属/水界面的第一性原理分子动力学计算与应用, 负责人, 国家任务, 2020-01--2022-12
（ 2 ） Pt(111)/水溶液界面双电层第一性原理模拟及电催化反应研究, 负责人, 其他任务, 2020-05--2020-11
（ 3 ） 基于第一性原理分子动力学的界面双电层模拟, 负责人, 其他任务, 2018-09--2020-10
（ 4 ） 电化学界面模拟方法发展和高效水分解催化剂理论研究, 负责人, 地方任务, 2022-01--2026-12