基本信息
李圣刚男博导中国科学院上海高等研究院
电子邮件： lisg@sari.ac.cn
通信地址： 上海市浦东新区张江高科技园区海科路100号
邮政编码： 201210

研究领域

招生信息
招生专业070304-物理化学

招生方向合成气制低碳醇催化剂作用机制研究
二氧化碳制甲醇催化剂作用机制研究
甲烷选择性氧化催化剂作用机制研究


教育背景1999-09--2004-09University of KentuckyPh.D.
1995-09--1999-07山东大学本科

学历
学位

工作经历
工作简历2009-09~2011-04,The University of Alabama,Assistant Research Scientist
2004-09~2009-09,The University of Alabama,Postdoc
1999-09~2004-09,University of Kentucky,Ph.D.
1995-09~1999-07,山东大学,本科

社会兼职2013-01-01-今,上海科技大学, 兼职教授


教授课程计算化学


专利与奖励
奖励信息
专利成果

出版信息
发表论文（1）Mechanism of Selective and Complete Oxidation in La2O3- catalyzed Oxidative Coupling of Methane Reaction,Catalysis Science & Technology,2020-03,第11作者
（2）Fischer-Tropsch to olefins over CoMn-based catalysts: Effect of preparation methods,Applied Catalysis A, General,2020-01,第8作者
（3）First principles investigation of dissociative adsorption of H2 during CO2 hydrogenation over cubic and hexagonal In2O3 catalysts,Physical Chemistry Chemical Physics,2020-01,第11作者
（4）Mechanistic studies on millerite chlorination with ammonium chloride,Physical Chemistry Chemical Physics,2020-01,第11作者
（5）Mechanistic insights into higher alcohol synthesis from syngas on Rh/Cu single-atom alloy catalysts,Physical Chemistry Chemical Physics,2020-01,第11作者
（6）Efficient One-pot Valorization of Ethanol to 1-Butanol over Earthabundant Ni-MgO Catalyst under Mild Conditions,Sustainable Energy Fuels,2020-01,第11作者
（7）Enhanced Ethanol Production from CO2 Electroreduction at Micropores in Nitrogen-Doped Mesoporous Carbon,ChemSusChem,2019-12,第4作者
（8）The direct synthesis of a bio-lubricant by the oligomerization of methyllinoleate via castor oil,Green Chemistry,2019-11,第11作者
（9）Propagating DFT Uncertainty to Mechanism Determination, Degree of Rate Control, and Coverage Analysis: The Kinetics of Dry Reforming of Methane,Journal of Physical Chemistry C,2019-11,第4作者
（10）Fischer?Tropsch Synthesis to Olefins: Catalytic Performance and Structure Evolution of Co2C?Based Catalysts under a CO2 Environment,ACS Catal.,2019-11,第7作者
（11）Sulfation Roasting of Nickel Oxide–Sulfide Mixed Ore Concentrate in the Presence of Ammonium Sulfate: Experimental and DFT Studies,Metals,2019-11,第10作者
（12）原子精度的钯原子簇催化硝基苯和苯甲醛反应制备苯甲酰胺,Benzalaniline from nitrobenzene and benzaldehyde catalyzed efficiently by an atomically precise palladium nanocluster,Chinese Journal of Catalysis,2019-10,第3作者
（13）Understanding of binding energy calibration in XPS of lanthanum oxide by in situ treatment,Physical Chemistry Chemical Physics,2019-09,第8作者
（14）Selective Transformation of CO2 and H2 into Lower Olefins over In2O3-ZnZrOx/SAPO-34 Bifunctional Catalysts,ChemSusChem,2019-07,第2作者
（15）Insights into oil recovery, soil rehabilitation and low temperature behaviors of microwave-assisted petroleum-contaminated soil remediation,J. Hazardous Mater.,2019-05,第4作者
（16）Efficient production of lactic acid from sugars over Sn-Beta zeolite in water: catalytic performance and mechanistic insights,Sustainable Energy Fuels,2019-03,第11作者
（17）Selective Production of Aromatics Directly from Carbon Dioxide Hydrogenation,ACS Catal.,2019-03,第3作者
（18）The on-and-off dynamics of thiophene on a nickel cluster enables efficient hydrodesulfurization and excellent stability at high temperatures,Nanoscale,2019-02,第11作者
（19）Direct Production of Higher Oxygenates by Syngas Conversion over a Multifunctional Catalyst,Angew. Chem. Int. Ed.,2019-02,第8作者
（20）Ultralow Pt Catalyst for Formaldehyde Removal: The Determinant Role of Support,iScience,2018-11,第6作者
（21）Particle Size Effects of Cobalt Carbide for Fischer?Tropsch to Olefins,ACS Catal.,2018-11,第4作者
（22）Oxidation mechanism of chalcopyrite revealed by X-ray photoelectron spectroscopy and first principles studies,Appl. Surf. Sci.,2018,第11作者
（23）Direct production of lower olefins from CO2 conversion via bifunctional catalysis,ACS Catal.,2018,第3作者
（24）Energy Dispersive Spectrometry and First Principles Studies on the Oxidation of Pentlandite,Phys. Chem. Chem. Phys.,2018,第11作者
（25）Crucial role of support in glucose selective conversion into 1,2-propanediol and ethylene glycol over Ni-based catalysts: A combined experimental and computational study,Appl. Catal. A,2018,第11作者
（26）Formic Acid-Induced Controlled-Release Hydrolysis of Microalgae (Scenedesmus) to Lactic Acid over Sn-Beta Catalyst,ChemSusChem,2018,第11作者
（27）Morphology control of Co2C nanostructures via the reduction process for direct production of lower olefins from syngas,J. Catal.,2018,第6作者
（28）Role of zirconium in direct CO2 hydrogenation to lower olefins on oxide/zeolite bifunctional catalysts,J. Catal.,2018,第11作者
（29）Potassium Tethered Carbons with Unparalleled Adsorption Capacity and Selectivity for Low-Cost Carbon Dioxide Capture from Flue Gas,ACS Appl. Mater. Interfaces,2018,第7作者
（30）Photocatalytic Coupling of Methanol and Formaldehyde into Ethylene Glycol with High Atomic Efficiency,Catal. Lett.,2018,第4作者
（31）Guest-regulated chirality switching of planar chiral pseudo[1]catenanes,Org. Biomol. Chem.,2018,第4作者
（32）Highly selective production of olefins from syngas with modified ASF distribution model,Appl. Catal. A,2018,第4作者
（33）Hydrofunctionalization of olefins to value-added chemicals via photocatalytic coupling,Green Chem.,2018,第2作者
（34）Enhanced activity of MgeFeeO ferrites for two-step thermochemical CO2 splitting,J. CO2 Util.,2018,第3作者
（35）Mn-promoted hydrogenation of microalgae (Chlorococcum sp.) to 1,2- propanediol and ethylene glycol over Ni-ZnO catalysts,Appl. Catal. A,2018,第11作者
（36）Online Kinetics Study of Oxidative Coupling of Methane over La2O3 for Methane Activation: What Is Behind the Distinguished Light-off Temperatures?,ACS Catal.,2018,第5作者
（37）Mechanism of microwave-assisted pyrolysis of glucose to furfural revealed by isotopic tracer and quantum chemical calculations,ChemSusChem,2017,第11作者
（38）Metal-free nitrogen-doped mesoporous carbon for electroreduction of CO2 to ethanol,Angew. Chem. Int. Ed.,2017,第4作者
（39）Exclusive formation of formic acid from CO2 electroreduction by tunable Pd-Sn alloy,Angew. Chem. Int. Ed.,2017,第4作者
（40）First principles studies of CO2 and O2 chemisorption on La2O3 surfaces,Phys. Chem. Chem. Phys.,2017,第11作者
（41）First principles prediction of CH4 reactivities with Co3O4 nanocatalysts of different morphologies,Phys. Chem. Chem. Phys.,2017,第11作者
（42）Effects of sodium on the catalytic performance of CoMn catalysts for Fischer-Tropsch to olefin reactions,ACS Catal.,2017,第8作者
（43）Mechanism of the Mn Promoter via CoMn Spinel for Morphology Control: Formation of Co2C Nanoprisms for Fischer-Tropsch to Olefins Reaction,ACS Catal.,2017,第6作者
（44）Direct conversion of CO2 into liquid fuels with high selectivity over a bifunctional catalyst,Nature Chemistry,2017,第2作者
（45）Effect of Pd doping on CH4 reactivity over Co3O4 catalysts from density-functional theory calculations,Chin. J. Catal.,2017,第11作者
（46）Sr-doping effects on La2O3 catalyst for oxidative coupling of methane,Chin. J. Catal.,2017,第11作者
（47）First Principles Studies on the Selectivity of Dimethoxymethane and Methyl Formate in Methanol Oxidation over V2O5/TiO2-based Catalysts,Phys. Chem. Chem. Phys.,2017,第11作者
（48）CO2 Chemisorption and Its Effect on Methane Activation in La2O3-Catalyzed Oxidative Coupling of Methane,Journal of Physical Chemistry C,2016,第11作者
（49）Highly Efficient and Stable Vanadia-Titania-Sulfate Catalysts for Methanol Oxidation to Methyl Formate: Synthesis and Mechanistic Study,Journal of Physical Chemistry C,2016,第11作者
（50）Correlation between the acid-base properties of the La2O3 catalyst and its methane reactivity,Phys. Chem. Chem. Phys.,2016,第11作者
（51）Self-regeneration of ferrites incorporated into matched matrices for thermochemical CO2 splitting,Journal of Materials Chemistry A,2016,第3作者
（52）Catalytic Mechanisms of Methanol Oxidation to Methyl Formate on Vanadia?Titania and Vanadia?Titania?Sulfate Catalysts,J. Phys. Chem. C,2016,第11作者
（53）Methane Activations by Lanthanum Oxide Clusters,Journal of Physical Chemistry C,2014,第11作者
（54）Role of Peroxides on La2O3 Catalysts in Oxidative Coupling of Methane,Journal of Physical Chemistry C,2014,第11作者
（55）CO Dissociation Mechanism on Cu-Doped Fe(100) Surfaces,Journal of Physical Chemistry C,2013,第11作者
（56）Ni-Doping Effects on Carbon Diffusion and Oxidation over Mo2C Surfaces,Journal of Physical Chemistry C,2013,第11作者
（57）Theoretical Study on the Dissociative Adsorption of CH4 on Pd-Doped Ni Surfaces,Chinese Journal of Catalysis,2013,第11作者

发表著作Mechanism of oxide-catalyzed selective oxidation: A computational perspective,Elsevier,2019-12,第1作者


科研活动
科研项目（ 1 ） ****择优支持经费, 主持,部委级,2012-12--2015-11
（ 2 ） 甲烷氧化偶联反应催化机制的实验和理论研究, 主持,院级,2013-07--2017-06
（ 3 ） GPU加速密度泛函计算研究甲烷氧化偶联反应催化循环机制, 主持,国家级,2015-01--2018-12
（ 4 ） 合成气制备醇类化学品催化剂的构效关系及反应机理 研究, 主持,国家级,2018-05--2021-04
（ 5 ） CH4/CO2 重整制合成气的关键纳米催化技术及工业示 范, 参与,国家级,2016-06--2021-05
（ 6 ） CO2 hydrogenation to methanol over oxide catalysts, 主持,院级,2020-04--2022-04

参与会议（1）CO2 hydrogenation over cubic and hexagonal In2O3 phases: Catalytic mechanism and structure-property-activity relationship2019年第257届ACS全国会议2019-03-31
（2）氧化镧催化剂的电子结构及甲烷反应的构效关系第22届全国稀土催化会议2018-10-12
（3）面向能源化工的催化材料的理论研究第9届国际分子模拟与信息技术应用学术会议2018-05-18
（4）Synthesis and mechanistic study of a highly efficient catalyst for methanol oxidation to methyl formate第252届美国化学会2016-08-21
（5）Understanding Transition Metal Oxide-Catalyzed Reactions Using Cluster- and Surface-Based Approaches第16届国际催化会议2016-07-04
（6）过渡金属氧化物催化甲烷甲醇转化的分子机制中国化学会第30届学术年会2016-07-01


合作情况
项目协作单位

指导学生