基本信息
朱倍恩  男  博导  中国科学院上海应用物理研究所
email: zhubeien@sinap.ac.cn
address: 浦东新区张衡路239号
postalCode:

招生信息

   
招生专业
070202-粒子物理与原子核物理
070301-无机化学
招生方向
真实催化过程中纳米催化剂结构的多尺度动态模拟与性能研究
AI在计算物理计算化学中的应用
新一代催化设计软件的开发和应用

教育背景

2005-09--2010-06   复旦大学   博士学位
2001-09--2005-06   复旦大学   学士学位

工作经历

   
工作简历
2022-01~现在, 中国科学院上海高等研究院, 研究员
2018-10~2022-01,中国科学院上海高等研究院, 副研究员
2014-04~2018-10,中国科学院上海应用物理研究所, 副研究员
2012-04~2014-03,法国巴黎第六大学, 博士后
2010-11~2012-02,比利时布鲁塞尔自由大学, 博士后
2005-09~2010-06,复旦大学, 博士学位
2001-09~2005-06,复旦大学, 学士学位

出版信息

   
发表论文
(1) Dynamic Active Sites In Situ Formed in Metal Nanoparticle Reshaping under Reaction Conditions, JACS Au, 2024, 第 11 作者
(2) Single-atom-driven dynamic carburization over Pd1���FeOx catalyst boosting CO2 conversion, CHEM, 2022, 第 11 作者
(3) High-Throughput Screening of Stable Single-Atom Catalysts in CO2 Reduction Reactions, ACS CATALYSIS, 2022, 第 11 作者
(4) Unveiling the Au Surface Reconstruction in a CO Environment by Surface Dynamics and Ab Initio Thermodynamics, JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 第 11 作者
(5) Mapping surface segregation of single-atom Pt dispersed in M surfaces (M=Cu, Ag, Au, Ni, Pd, Co, Rh and Ir) under hydrogen pressure at various temperatures, APPLIED SURFACE SCIENCE, 2021, 第 2 作者
(6) Mechanistic insight into the influence of O-2 on N2O formation in the selective catalytic reduction of NO with NH3 over Pd/CeO2 catalyst, CATALYSIS SCIENCE & TECHNOLOGY, 2021, 第 11 作者
(7) Elucidation of Active Sites for CH4 Catalytic Oxidation over Pd/CeO2 Via Tailoring Metal-Support Interactions, ACS CATALYSIS, 2021, 第 8 作者
(8) Structure reconstruction of metal/alloy in reaction conditions: a volcano curve?, FARADAY DISCUSSIONS, 2021, 第 11 作者
(9) In situ identification of the metallic state of Ag nanoclusters in oxidative dispersion, NATURE COMMUNICATIONS, 2021, 第 3 作者
(10) In situ manipulation of the active Au-TiO2 interface with atomic precision during CO oxidation, SCIENCE, 2021, 第 2 作者
(11) Discontinuous transition between Zundel and Eigen for H5O2^+, Discontinuous transition between Zundel and Eigen for H5O2+*, CHINESE PHYSICS B, 2020, 第 2 作者
(12) Reversible loss of core-shell structure for Ni-Au bimetallic nanoparticles during CO2 hydrogenation, NATURE CATALYSIS, 2020, 第 3 作者
(13) Reshaping of Metal Nanoparticles Under Reaction Conditions, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, 第 1 作者
(14) Real-time atomistic simulation of the Ostwald ripening of TiO(2)supported Au nanoparticles, NANOSCALE, 2020, 第 1 作者
(15) Visualizing H2O molecules reacting at TiO2 active sites with transmission electron microscopy, SCIENCE, 2020, 第 2 作者
(16) Reshaping of Rh nanoparticles in operando conditions, CATALYSIS TODAY, 2020, 第 3 作者
(17) Surface Segregation in CuNi Nanoparticle CatalystsDuring CO 2 Hydrogenation: The Role of CO in the ReactantMixture, JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 第 9 作者
(18) Surface faceting and compositional evolution of Pd@ Au core- shell nanocrystals during in situ annealing, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 第 11 作者
(19) Multiscale atomistic simulation of metal nanoparticles under working conditions, NANOSCALE ADVANCES, 2019, 第 4 作者
(20) Oriented attachment growth of monocrystalline cuprous oxide nanowires in pure water, NANOSCALE ADVANCES, 2019, 第 11 作者
(21) Reshaping Dynamics of Gold Nanoparticles under H-2 and O-2 at Atmospheric Pressure, ACS NANO, 2019, 第 3 作者
(22) Atomic Mechanism in Layer-by-Layer Growth via Surface Reconstruction, NANO LETTERS, 2019, 第 11 作者
(23) Surface Composition Evolution of Bimetallic Alloys under Reaction Conditions, JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 第 11 作者
(24) Morphology evolution of fcc Ru nanoparticles under hydrogen atmosphere, NANOSCALE, 2019, 第 11 作者
(25) Real-Time Simulation of Nonequilibrium Nanocrystal Transformations, ADVANCED THEORY AND SIMULATIONS, 2019, 第 2 作者
(26) Structural evolution of metal nanoparticles in operando conditions, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 第 2 作者
(27) Unveiling the Atomic Structures of the Minority Surfaces of TiO2 Nanocrystals, CHEMISTRY OF MATERIALS, 2018, 第 3 作者
(28) Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes, JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 第 2 作者
(29) Direct In Situ TEM Visualization and Insight into the Facet-Dependent Sintering Behaviors of Gold on TiO2, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 第 11 作者
(30) Pd���Pt nanoalloy transformation pathways at the atomic scale, MATERIALS TODAY NANO, 2018, 第 2 作者
(31) Unraveling the oxygen vacancy structures at the reduced CeO2(111) surface, PHYSICAL REVIEW MATERIALS, 2018, 第 3 作者
(32) Reconstruction of Supported Metal Nanoparticles in Reaction Conditions, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 第 11 作者
(33) Shape Evolution of Metal Nanoparticles in Binary Gas Environment, JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 第 11 作者
(34) Unexpected refacetting of palladium nanoparticles under atmospheric N-2 conditions, CHEMICAL COMMUNICATIONS, 2018, 第 11 作者
(35) Magic compositions in Pd-Au nanoalloys, COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 第 1 作者
(36) Equilibrium Shape of Metal Nanoparticles under Reactive Gas Conditions, JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 第 1 作者
(37) In situ TEM studies of the shape evolution of Pd nanocrystals under oxygen and hydrogen environments at atmospheric pressure, CHEMICAL COMMUNICATIONS, 2017, 第 11 作者
(38) Shape Evolution of Metal Nanoparticles in Water Vapor Environment, NANO LETTERS, 2016, 第 1 作者
(39) A grand unified model for liganded gold clusters, NATURE COMMUNICATIONS, 2016, 第 2 作者
(40) CO Adsorption-Induced Surface Segregation and Formation of Pd Chains on AuPd(100) Alloy: Density Functional Theory Based Ising Model and Monte Carlo Simulations, JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 第 11 作者
(41) NiMo合金在水环境中表面偏析现象的理论模拟研究, 中国科学:物理学 力学 天文学, 2016, 第 1 作者
(42) Investigation of finite-size effects in chemical bonding of AuPd nanoalloys, JOURNAL OF CHEMICAL PHYSICS, 2015, 第 1 作者

科研活动

   
科研项目
( 1 ) 全栈式工况催化模拟计算与智能设计软件包, 参与, 国家任务, 2023-12--2028-11
( 2 ) 第一届高研新锐优秀青年人才计划, 负责人, 研究所自主部署, 2020-01--2021-12
( 3 ) 真实反应中原位构效关系理论新模型的建立, 负责人, 中国科学院计划, 2019-09--2024-09
( 4 ) 2018中国科学院青年创新促进会, 负责人, 其他国际合作项目, 2018-01--2021-12