刘建军
近期热点
资料介绍
个人简历
教育经历 \r1993--1997,吉林大学化学系,精细化工专业,学士学位 \r1997--2002,吉林大学理论化学研究所,物理化学,博士学位 \r\r工作经历 \r2001--2001,中科院北京化学所,访问学者 \r2002--2002,德国弗里茨哈伯研究所(Fritz Haber Institute),访问学者 \r2003--2005,美国爱默里大学(Emory)的博士后 \r2005--2011,美国南伊利诺伊大学(SIUC)助理科学家,讲师\r2009--2010, 美国东南密苏里州立大学(SEMO)的兼职教授 \r2011--现在,中国科学院上海硅酸盐研究所, 高性能陶瓷和超微结构国家重点实验室,研究员 \r\r奖励与荣誉 \r获中科院“优秀海外归国人才项目”择优支持(2012) \r获第十届美国能源部的Advanced Computational Software (ACTS) Collection奖励资助(2009) \r获吉林大学优秀博士论文一等奖,国家优秀论文提名奖(2002)研究领域
"""""主要利用第一性原理与分子动力学模拟,在微观层次上计算研究能源材料的组成-结构-性能关系,与实验结合优化材料性能、预测新型能源材料。具体研究内容如下: \r\r1.发展高性能能量转化与储存材料是解决能源危机与环境污染的主要手段,而这些材料的应用包含了复杂的电子结构变化、微观结构调整、离子电子输运等协同耦合作用机理,利用第一性原理与分子动力学结合方法,模拟研究锂电池(锂离子、锂空)材料的应用过程中微观结构演变与电化学反应机制,揭示组分结构与电化学性能之 间关系规律,优化材料性能,预测新型电极材料。 \r\r2.利用纳米工程技术,能带工程理论,研究新型纳米半导体材料的光催化性能,提高可见光吸收率,加快电子-空穴分离效率。\r\r3.以第一性原理方法与分子动力学模拟相结合,研究金属掺杂和纳米效应对无机固体储氢材料的热力学和动力学改性机理,主要是揭示了氢,气的吸附和解离反应机理,以及过渡金属的催化反应机理,无机固体材料的相变机理。 \r\r4.研究无机金属氧化物支持的纳米材料的气体分子转化的催化机理(异相催化)"近期论文
(1) Synthesis of α-MnO2 nanowires modified by Co3O4 nanoparticles as a high-performance catalyst for rechargeable Li–O2 batteries, Phys. Chem. Chem. Phys., 2016\r(2) Surface-energy-driven Growth of ZnO Hexagonal Microtubes for Tunable Optical Resonators, Adv. Opt. Mater., 2016\r(3) Novel synthesis of N-doped graphene as an efficient electrocatalyst towards oxygen reduction, Nano Reserch, 2016\r(4) Brand new P-doped g-C3N4: enhanced photocatalytic activity for H2 evolution and Rhodamine B degradation under visible light, J. Mater. Chem. A, 2015\r(5) Study on the Correlations between the structure and photoelectric properties of CH3NH3PbI3 perovskite light-harvesting material, J. Power Source, 2015\r(6) Surface Acidity as Descriptor of Catalytic Activity for Oxygen Evolution Reaction in Li-O2 Battery, J. Am. Chem. Soc, 2015\r(7) Unraveling Catalytic Mechanism of Co3O4 for Oxygen Evolution Reaction in Li-O2 Battery, ACS Catal., 2015\r(8) A Calculation Evidence for Staged Mott and Peierls Transitions in VO2 Revealed by Mapping Reduced-Dimension Potential Energy Surface, J. Phys. Chem. Lett, 2015\r(9) Hydrogen-Bonding-Mediated Structural Stability and Electrochemical Performance in Iron Fluoride Cathode Materials, J. Mater. Chem. A, 2015\r(10) Nanoflower-like weak crystallization manganese oxide for efficient removal of low-concentration NO at room temperature, J. Mater. Chem. A, 2015\r(11) Facet-Dependent Electrocatalytic Performance of Co3O4 for Rechargeable Li–O2 Battery, J. Phys. Chem. C, 2015\r(12) The doping effect on the catalytic activity of graphene for oxygen evolution reaction in a lithium–air battery: a first-principles study, Phys. Chem. Chem. Phys., 2015\r(13) Theoretical studies of a 3D-to-planar structural transition in SinAl5−n+1,0,−1 (n = 0–5) clusters, RSC Adv., 2015\r(14) Structures, Thermodynamics, and Li+ Mobility of Li10GeP2S12: A First-Principles Analysis, J. Phys. Chem. C, 2014\r(15) educed phase transition temperature, enhanced luminous transmittance, improved solar energy modulation ability, and modified color of VO2 flexible foils by Zr doping and further optimization by W-Zr co-doping, J. Mater. Chem. A, 2014\r(16) B-doped Graphene as Catalyst to Improve Charge Rate of Lithium-air Battery, J. Phys. Chem. C, 2014\r(17) Unravelling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study, J. Phys. Chem. C, 2014\r(18) F-doped VO2 nanoparticles for thermochromic energy-saving foils with modified color and enhanced solar-heat shielding ability, Phys. Chem. Chem. Phys., 2013\r(19) The visible transmittance and solar modulation ability of VO2 flexible foils simultaneously improved by Ti doping: an optimization and first principle study,, Phys. Chem. Chem. Phys., 2013\r(20) Bilayer silicene with an electrically-tunable wide band gap, RSC Adv., 2013\r(21) First-Principles Studies on Hydrogen Desorption Mechanism of MgnH2n (n = 3, 4), J. Phys. Chem. C, 2013 相关热点
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