基本信息
肖建平  男  博导  中国科学院大连化学物理研究所
电子邮件: xiao@dicp.ac.cn
通信地址: 大连市沙河口区中山路457号
邮政编码: 116023
部门/实验室:研究生部

研究领域

1、通过第一性原理密度泛函理论的计算,找到多相催化/光电催化过程中,每个基元反应之间的关联,最后通过反应相图构建与分析,得到反应活性和选择性与不同的reactivity区域的关系。

2、通过机器学习算法的开发实现对stability-activity-selectivity三者之间的关系的构建,进而实现纳米催化剂的理性设计。涉及到的反应包括合成气转化,二氧化碳还原,和MTO等等。

招生信息

   
招生专业
070304-物理化学
招生方向
理论催化

教育背景

2009-10--2013-08   德国不来梅大学   博士
2007-09--2009-06   重庆大学   硕士
2003-09--2007-06   重庆大学   学士

工作经历

2019-01~现在, 中国科学院大连化学物理研究所, 研究员
2017-11~2018-12,西湖大学, 研究员
2015-11~2017-10,美国斯坦福大学, 博士后
2013-10~2015-10,中国科学院大连化学物理研究所, 博士后

专利与奖励

2019:张大煜青年学者


出版信息

   
发表论文
(1) Direct conversion of syngas to ethanol within zeolite crystals, Chem., 2020, 通讯作者
(2) Toward a comparative description between transition metal and zeolite catalysts for methanol conversion., Phys. Chem. Chem. Phys., 2020, 通讯作者
(3) Morphology controlling of silver by plasma engineering for electrocatalytic carbon dioxide reduction., J. Power Sources, 2020, 通讯作者
(4) Synergy effects on Sn-Cu alloy catalyst for efficient CO2 electroreduction to formate with high mass activity., Science Bulletin, 2020, 通讯作者
(5) Direct electrochemical ammonia synthesis from nitric oxide., Angew. Chem. Int. Ed., 2020, 通讯作者
(6) Incorporation of layered tin (IV) phosphate in graphene framework for high performance lithium-sulfur batteries., J. Energy. Chem., 2020, 通讯作者
(7) Unveiling hydrocerussite as an electrochemically stable active phase for efficient carbon dioxide electroreduction to formate., Nature Commun,, 2020, 通讯作者
(8) A Combination of Theory and Experiment Achieving Rational Design of Electrocatalysts for Hydrogen Evolution on Hierarchically Mesoporous CoS2 Microsphere, J. Phys. Chem. C, 2019, 通讯作者
(9) Highly Active Metallic Nickel Sites Confined in N-doped Carbon Nanotubes Toward Significantly Enhanced Activity of CO2 Electroreduction, Carbon, 2019, 通讯作者
(10) Exceptional Stability and Chemical Mechanism over Spinel ZnCr2O4 Catalyst for HCl Oxidation to Cl2, Molecular Catalysis, 2019, 通讯作者
(11) Towards Unifying the Concepts of Catalysis in Confined Space, Comp. Mater. Sci, 2019, 通讯作者
(12) Towards Computational Design of Catalysts for CO2 Selective Reduction via Reaction Phase Diagram Analysis, Adv. Theory Simul, 2019, 通讯作者
(13) N-doped Graphene Confined Pt Nanoparticles for Efficient Semi-hydrogenation of Phenylacetylene, Carbon, 2019, 通讯作者
(14) Towards Fundamentals of Confined Electrocatalysis in Nanoscale Reactors, J. Phys. Chem. Lett, 2019, 通讯作者
(15) pH Effects on the Electrochemical Reduction of CO(2) Towards C2 Products on Stepped Copper, Nat. Commun, 2019, 第 3 作者
(16) Synergistic Catalysis over Iron-Nitrogen Sites Anchored with Cobalt Phthalocyanine for Efficient CO2 Electroreduction, Adv. Mater., 2019, 第 7 作者
(17) Room-Temperature Electrochemical Water-Gas Shift Reaction for High Purity Hydrogen Production, Nat. Commun, 2019, 第 9 作者
(18) Vertical Silver@Silver Choloride Core-Shell Nanowire Array for Carbon Dioxide Electroreduction, ACS Appl. Energy Mater., 2019, 通讯作者
(19) Carbon doped Hexagonal BN as a Highly Efficient Metal-free Base Catalyst for Knoevenagel Condensation Reaction, Appl. Catal. B Environ, 2019, 通讯作者
(20) PdZn alloy nanoparticles encapsulated within a few layers of graphene for efficient semi-hydrogenation of acetylene, Chem. Commun., 2019, 通讯作者
(21) Room-Temperature Conversion of Ethane and Mechanism Understanding over Single Iron Atoms Confined in Graphene, J. Energy. Chem, 2019, 第 7 作者
(22) Carbon Dioxide Electroreduction over Imidazolate Ligands Coordinated with Zn (II) Center in ZIFs, Nano Energy, 2018, 第 3 作者
(23) Highly Efficient Catalytic Scavenging of Oxygen Free Radicals with Graphene-encapsulated Metal Nanoshields, Nano Research, 2018, 第 3 作者
(24) Reaction Mechanisms of Well-defined Metal-N4 Sites in Electrocatalytic CO2 Reduction, Angew. Chem. Int. Ed., 2018, 第 1 作者
(25) Integration of Theory and Experiment on Mesoporous Nickel Sulfide Microsphere for Hydrogen Evolution Reaction, ACS Sustain. Chem. Eng, 2018, 第 3 作者
(26) Unsaturated Edge-anchored Ni Single Atoms on Porous Microwave Exfoliated Graphene Oxide for Electrochemical CO2 reduction, Appl. Catal. B Environ, 2018, 第 7 作者
(27) One-Step Synthesis of NiMn Layered Double Hydroxide Nanosheets Efficient for Water Oxidation, Small Methods, 2018, 第 7 作者
(28) Mechanistic Insights into the Synthesis of Higher Alcohols from Syngas on CuCo Alloys, ACS catalysis, 2018, 第 5 作者
(29) Coordinatively Unsaturated Nickel-Nitrogen Sites Towards Selective and High-rate CO2 Electroreduction, Energy & Environ. Sci, 2018, 第 7 作者
(30) The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO2 Reduction Conditions: An experimental and Theoretical Study, ACS Energy Lett, 2018, 第 4 作者
(31) Robust and Conductive Two-Dimensional Metal−Organic Frameworks with Exceptionally High Volumetric and Areal Capacitance, Nature Energy, 2018, 其他(合作组作者)
(32) Room-Temperature Methane Conversion by Graphene-Confined Single Iron Atoms, Chem, 2018, 其他(合作组作者)
(33) The Structure and Electronic Properties of Interface-Confined Oxide Nanostructures, ACS Nano, 2017, 第 8 作者
(34) Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal - 7 - New Active Motifs for CO2 reduction, ACS catalysis, 2017, 第 3 作者
(35) Highly Doped and Exposed Cu(I)-N Active Sites within Graphene Towards Efficient Oxygen Reduction for Zinc-air Battery, Energy Environ. Sci, 2017, 第 6 作者
(36) Enhanced Oxidation Resistance of Active Nanostructures via Dynamic Size Effect, Nature Commun, 2017, 第 4 作者
(37) Confined Catalysis under Two-dimensional Materials, Proc. Natl. Acad. Sci. U.S.A, 2017, 第 2 作者
(38) Size-dependence of Carbon Nanotube Confinement in Catalysis, Chem. Sci, 2017, 第 1 作者
(39) Understanding Trends in Electrochemical Carbon Dioxide Reduction Rates, Nat. Commun, 2017, 第 1 作者
(40) The Structure and Electronic Properties of Interface-Confined Oxide Nanostructures, ACS Nano, 2017, 第 8 作者
(41) Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal - 7 - New Active Motifs for CO2 reduction, ACS catalysis, 2017, 第 3 作者
(42) Highly Doped and Exposed Cu(I)-N Active Sites within Graphene Towards Efficient Oxygen Reduction for Zinc-air Battery, Energy Environ. Sci, 2017, 第 6 作者

科研活动

   
科研项目
( 1 ) 催化动力学模拟方法开发和碳-碳成键的理论研究, 主持, 国家级, 2019-01--2021-12
( 2 ) 铜电极表面次表层残留氧元素对二氧化碳电还原影响的理论研究, 主持, 国家级, 2019-01--2019-12
( 3 ) 合成气直接转化制低碳烯烃的研究, 参与, 国家级, 2020-01--2022-12