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

招生信息

   
招生专业
070304-物理化学
招生方向
二氧化碳制甲醇催化机制研究
生物质制平台化合物反应机制研究
催化剂信息学与催化剂设计

教育背景

1999-09--2004-09   University of Kentucky   Ph.D.
1995-09--1999-07   山东大学   本科

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

出版信息

   
发表论文
(1) Solvent-Free Synthesis of Mg-Incorporated Nanocrystalline SAPO-34 Zeolites via Natural Clay for Chloromethane-to-Olefin Conversion, ACS Sustainable Chem. Eng., 2020, 第 3 作者
(2) Electrocatalytic oxidation of methane to ethanol via NiO/Ni interface, Applied Catalysis B: Environmental, 2020, 第 6 作者
(3) Toward a Full One-Pass Conversion for the Fischer−Tropsch Synthesis over a Highly Selective Cobalt Catalyst, Industrial & Engineering Chemistry Research, 2020, 第 3 作者
(4) Gamma-Ray Irradiation to Accelerate Crystallization of Mesoporous Zeolites, Angew. Chem. Int. Ed., 2020, 第 3 作者
(5) Continuous Conversion of Glucose into Methyl Lactate over the Sn- Beta Zeolite: Catalytic Performance and Activity Insight, Industrial & Engineering Chemistry Research, 2020, 通讯作者
(6) Quantitative Conversion of Methanol to Methyl Formate on Graphene-Confined Nano-Oxides, iScience, 2020, 通讯作者
(7) Rationally designed indium oxide catalysts for CO2 hydrogenation to methanol with high activity and selectivity, Science Advances, 2020, 通讯作者
(8) Fischer-Tropsch to olefins over CoMn-based catalysts: Effect of preparation methods, Applied Catalysis A, General, 2020, 第 8 作者
(9) First principles investigation of dissociative adsorption of H2 during CO2 hydrogenation over cubic and hexagonal In2O3 catalysts, Physical Chemistry Chemical Physics, 2020, 通讯作者
(10) Mechanistic studies on millerite chlorination with ammonium chloride, Physical Chemistry Chemical Physics, 2020, 通讯作者
(11) Mechanistic insights into higher alcohol synthesis from syngas on Rh/Cu single-atom alloy catalysts, Physical Chemistry Chemical Physics, 2020, 通讯作者
(12) Efficient One-pot Valorization of Ethanol to 1-Butanol over Earthabundant Ni-MgO Catalyst under Mild Conditions, Sustainable Energy Fuels, 2020, 通讯作者
(13) Mechanism of Selective and Complete Oxidation in La2O3- catalyzed Oxidative Coupling of Methane Reaction, Catalysis Science & Technology, 2020, 通讯作者
(14) Enhanced Ethanol Production from CO2 Electroreduction at Micropores in Nitrogen-Doped Mesoporous Carbon, ChemSusChem, 2020, 第 4 作者
(15) The role of oxophilic Mo species in Pt/MgO catalysts as extremely active sites for enhanced hydrodeoxygenation of dibenzofuran, Catalysis Science & Technology, 2020, 第 4 作者
(16) Synthesis of large gold nanoparticles with deformation twinnings by one-step seeded growth with Cu(II)-mediated Ostwald ripening for determining nitrile and isonitrile groups, Nanoscale, 2020, 第 7 作者
(17) Electronic Structure and Oxidation Mechanism of Nickel−Copper Converter Matte from First-Principles Calculations, ACS Omega, 2020, 通讯作者
(18) Anti-sintering non-stoichiometric nickel ferrite for highly efficient and thermal-stable thermochemical CO2 splitting, Chemical Engineering Journal, 2020, 第 6 作者
(19) Novel Heterogeneous Catalysts for CO2 Hydrogenation to Liquid Fuels, ACS Central Science, 2020, 第 3 作者
(20) Highly efficient production of lactic acid from xylose using Sn-beta catalysts, Green Chemistry, 2020, 通讯作者
(21) Cu single-atoms embedded in porous carbon nitride for selective oxidation of methane to oxygenates, Chemical Communications, 2020, 第 10 作者
(22) Catalyst Design for Selective Hydrodeoxygenation of Glycerol to 1,3-Propanediol, ACS Catalysis, 2020, 通讯作者
(23) Synthesis of S-doped AuPbPt alloy nanowirenetworks as superior catalysts towards the ORR and HER, J. Mater. Chem. A, 2020, 第 6 作者
(24) Insights into the High Activity and Methanol Selectivity of the Zn/ ZrO2 Solid Solution Catalyst for CO2 Hydrogenation, J. Phys. Chem. C, 2020, 通讯作者
(25) 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, 第 3 作者
(26) Selective Transformation of CO2 and H2 into Lower Olefins over In2O3-ZnZrOx/SAPO-34 Bifunctional Catalysts, ChemSusChem, 2019, 第 2 作者
(27) The direct synthesis of a bio-lubricant by the oligomerization of methyllinoleate via castor oil, Green Chemistry, 2019, 通讯作者
(28) 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, 第 4 作者
(29) Fischer−Tropsch Synthesis to Olefins: Catalytic Performance and Structure Evolution of Co2C‑Based Catalysts under a CO2 Environment, ACS Catal., 2019, 第 7 作者
(30) Understanding of binding energy calibration in XPS of lanthanum oxide by in situ treatment, Physical Chemistry Chemical Physics, 2019, 第 8 作者
(31) Enhanced Ethanol Production from CO2 Electroreduction at Micropores in Nitrogen-Doped Mesoporous Carbon, ChemSusChem, 2019, 第 4 作者
(32) Sulfation Roasting of Nickel Oxide–Sulfide Mixed Ore Concentrate in the Presence of Ammonium Sulfate: Experimental and DFT Studies, Metals, 2019, 第 10 作者
(33) The on-and-off dynamics of thiophene on a nickel cluster enables efficient hydrodesulfurization and excellent stability at high temperatures, Nanoscale, 2019, 通讯作者
(34) Direct Production of Higher Oxygenates by Syngas Conversion over a Multifunctional Catalyst, Angew. Chem. Int. Ed., 2019, 第 8 作者
(35) Efficient production of lactic acid from sugars over Sn-Beta zeolite in water: catalytic performance and mechanistic insights, Sustainable Energy Fuels, 2019, 通讯作者
(36) Selective Production of Aromatics Directly from Carbon Dioxide Hydrogenation, ACS Catal., 2019, 第 3 作者
(37) Insights into oil recovery, soil rehabilitation and low temperature behaviors of microwave-assisted petroleum-contaminated soil remediation, J. Hazardous Mater., 2019, 第 4 作者
(38) Oxidation mechanism of chalcopyrite revealed by X-ray photoelectron spectroscopy and first principles studies, Appl. Surf. Sci., 2018, 通讯作者
(39) Direct production of lower olefins from CO2 conversion via bifunctional catalysis, ACS Catal., 2018, 第 3 作者
(40) Energy Dispersive Spectrometry and First Principles Studies on the Oxidation of Pentlandite, Phys. Chem. Chem. Phys., 2018, 通讯作者
(41) 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, 通讯作者
(42) Formic Acid-Induced Controlled-Release Hydrolysis of Microalgae (Scenedesmus) to Lactic Acid over Sn-Beta Catalyst, ChemSusChem, 2018, 通讯作者
(43) Morphology control of Co2C nanostructures via the reduction process for direct production of lower olefins from syngas, J. Catal., 2018, 第 6 作者
(44) Role of zirconium in direct CO2 hydrogenation to lower olefins on oxide/zeolite bifunctional catalysts, J. Catal., 2018, 通讯作者
(45) 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
(46) Photocatalytic Coupling of Methanol and Formaldehyde into Ethylene Glycol with High Atomic Efficiency, Catal. Lett., 2018, 第 4 作者
(47) Guest-regulated chirality switching of planar chiral pseudo[1]catenanes, Org. Biomol. Chem., 2018, 第 4 作者
(48) Highly selective production of olefins from syngas with modified ASF distribution model, Appl. Catal. A, 2018, 第 4 作者
(49) Hydrofunctionalization of olefins to value-added chemicals via photocatalytic coupling, Green Chem., 2018, 第 2 作者
(50) Enhanced activity of MgeFeeO ferrites for two-step thermochemical CO2 splitting, J. CO2 Util., 2018, 第 3 作者
(51) Mn-promoted hydrogenation of microalgae (Chlorococcum sp.) to 1,2- propanediol and ethylene glycol over Ni-ZnO catalysts, Appl. Catal. A, 2018, 通讯作者
(52) 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
(53) Ultralow Pt Catalyst for Formaldehyde Removal: The Determinant Role of Support, iScience, 2018, 第 6 作者
(54) Particle Size Effects of Cobalt Carbide for Fischer−Tropsch to Olefins, ACS Catal., 2018, 第 4 作者
(55) Mechanism of microwave-assisted pyrolysis of glucose to furfural revealed by isotopic tracer and quantum chemical calculations, ChemSusChem, 2017, 通讯作者
(56) Metal-free nitrogen-doped mesoporous carbon for electroreduction of CO2 to ethanol, Angew. Chem. Int. Ed., 2017, 第 4 作者
(57) Exclusive formation of formic acid from CO2 electroreduction by tunable Pd-Sn alloy, Angew. Chem. Int. Ed., 2017, 第 4 作者
(58) First principles studies of CO2 and O2 chemisorption on La2O3 surfaces, Phys. Chem. Chem. Phys., 2017, 通讯作者
(59) First principles prediction of CH4 reactivities with Co3O4 nanocatalysts of different morphologies, Phys. Chem. Chem. Phys., 2017, 通讯作者
(60) Effects of sodium on the catalytic performance of CoMn catalysts for Fischer-Tropsch to olefin reactions, ACS Catal., 2017, 第 8 作者
(61) 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
(62) Direct conversion of CO2 into liquid fuels with high selectivity over a bifunctional catalyst, Nature Chemistry, 2017, 第 2 作者
(63) Effect of Pd doping on CH4 reactivity over Co3O4 catalysts from density-functional theory calculations, Chin. J. Catal., 2017, 通讯作者
(64) Sr-doping effects on La2O3 catalyst for oxidative coupling of methane, Chin. J. Catal., 2017, 通讯作者
(65) First Principles Studies on the Selectivity of Dimethoxymethane and Methyl Formate in Methanol Oxidation over V2O5/TiO2-based Catalysts, Phys. Chem. Chem. Phys., 2017, 通讯作者
(66) CO2 Chemisorption and Its Effect on Methane Activation in La2O3-Catalyzed Oxidative Coupling of Methane, Journal of Physical Chemistry C, 2016, 通讯作者
(67) Highly Efficient and Stable Vanadia-Titania-Sulfate Catalysts for Methanol Oxidation to Methyl Formate: Synthesis and Mechanistic Study, Journal of Physical Chemistry C, 2016, 通讯作者
(68) Correlation between the acid-base properties of the La2O3 catalyst and its methane reactivity, Phys. Chem. Chem. Phys., 2016, 通讯作者
(69) Self-regeneration of ferrites incorporated into matched matrices for thermochemical CO2 splitting, Journal of Materials Chemistry A, 2016, 第 3 作者
(70) Catalytic Mechanisms of Methanol Oxidation to Methyl Formate on Vanadia−Titania and Vanadia−Titania−Sulfate Catalysts, J. Phys. Chem. C, 2016, 通讯作者
(71) Methane Activations by Lanthanum Oxide Clusters, Journal of Physical Chemistry C, 2014, 通讯作者
(72) Role of Peroxides on La2O3 Catalysts in Oxidative Coupling of Methane, Journal of Physical Chemistry C, 2014, 通讯作者
(73) CO Dissociation Mechanism on Cu-Doped Fe(100) Surfaces, Journal of Physical Chemistry C, 2013, 通讯作者
(74) Ni-Doping Effects on Carbon Diffusion and Oxidation over Mo2C Surfaces, Journal of Physical Chemistry C, 2013, 通讯作者
(75) Theoretical Study on the Dissociative Adsorption of CH4 on Pd-Doped Ni Surfaces, Chinese Journal of Catalysis, 2013, 通讯作者
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, 2020-09--2022-08
参与会议
(1)含碳资源高值化利用过程中的反应机理及催化剂设计   2020第三届全国工程热化学学术会议   2020-12-18
(2)生物质加氢脱氧反应的理论探索及催化剂设计   2020第三届能源与环境催化会议   2020-11-12
(3)生物质模型化合物催化转化机制及催化剂理性设计   2020全国有机固废处理与资源化利用研讨会   2020-11-09
(4)CO2 hydrogenation over cubic and hexagonal In2O3 phases: Catalytic mechanism and structure-property-activity relationship   2019年第257届ACS全国会议   2019-03-31
(5)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
(6)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
(7)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
(8)Understanding Transition Metal Oxide-Catalyzed Reactions Using Cluster- and Surface-Based Approaches   第16届国际催化会议   2016-07-04
(9)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