个人简介
教育经历
1990.09-1994.07 学士兰州大学 化学
1994.09-1997.07 硕士 中国科学院大连化学物理研究所c 物理化学
1998.09-2004.07博士美国加州理工学院物理化学
工作经历
2004.07-2006.07 美国加州理工学院 副研究员
2006.08-2009.07 新加坡南洋理工大学 助理教授
2009.08-2019.06 中国科学院大连化学物理研究所 研究员/首席研究员
2019.07-至今 山东大学 前沿交叉科学青岛研究院副院长/教授
研究领域
研究方向为按需求进行材料数智化设计,针对国家战略需求和国民经济主战场,围绕能源环境生命健康等领域关键功能材料,发展性能预测理论方法,利用人工智能来大规模筛选虚拟材料,制备出所设计的材料。
建立了自己特色的研究方法:以发展理论化学方法为核心,基于发展的方法模拟与设计材料,并合成出设计的材料。由于理论方法给予材料设计预测性导向,特色研究方法具有高效性,能够大幅缩短材料开发周期。用特色研究方法开发应用于能源与环境的有机功能材料,具体应用在新能源、CO2化学、医药健康、海洋产业等领域。
近期论文
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Enhanced carbon dioxide conversion at ambient conditions via a pore enrichment effect, Nature Communications, 2020, 通讯作者
van der Waals Function for Molecular Mechanics, Journal of Physical Chemistry A, 2020, 通讯作者
Combination Rules and Accurate van der Waals Force Field for Gas Uptakes in Porous Materials,Journal of Physical Chemistry A, 2019, 通讯作者
Conductive Microporous Covalent Triazine-Based Framework for High-Performance Electrochemical Capacitive Energy Storage,Angewandte Chemie International Edition, 2018, 通讯作者
Niobium-Doped (001)-Dominated Anatase TiO2 Nanosheets as Photoelectrode for Efficient Dye-Sensitized Solar Cells,ACS Applied Materials & Interfaces, 2017, 通讯作者
Recent developments of first-principles force fields, Wiley Interdisciplinary Reviews-Computational, 2017, 通讯作者
Quantitative prediction of charge mobilities of p-stacked systems by first-principles simulation, Nature Protocols, 2015, 第1作者
Extraordinary capability for water treatment achieved by a perfluorous conjugated microporous polymer, Scientific Reports, 2015, 通讯作者
Synthesis of conjugated microporous polymer nanotubes with large surface areas as absorbents for iodine and CO2 uptake, Journal of Materials Chemistry A, 2015, 通讯作者
Efficient fixation of CO2 by a Zinc- coordinated conjugated microporous polymer, ChemSusChem, 2014, 通讯作者
Three-dimensional superwetting mesh film based on graphene assembly for liquid transportation and selective absorption, ChemSusChem, 2013, 通讯作者
Superhydrophobic Activated Carbon-Coated Sponges for Separation and Absorption, ChemSusChem, 2013, 通讯作者
Capture and conversion of CO2 at ambient conditions by a conjugated microporous polymer, Nature Communications, 2013, 通讯作者
Simulation of Hole Mobility in alpha-Oligofuran Crystals, Journal of Physical Chemistry B, 2011, 第3作者
Reduced charge recombination in a co-sensitized quantum dot solar cell with two different sizes of CdSe quantum dot, Nanoscale, 2011, 通讯作者
Incorporation of graphene in quantum dot sensitized solar cells based on ZnO nanorods, Chemical Communication, 2011, 通讯作者
Aryl/hetero-arylethyne bridged dyes: the effect of planar pi-bridge on the performance of dye-sensitized solar cells, New Journal of Chemistry, 2011, 通讯作者
DFT Study of Hydrogen Storage by Spillover on Graphene with Boron Substitution, Journal of Physical Chemistry C, 2011, 通讯作者
Superhydrophobic conjugated microporous polymers for separation and adsorption, Energy Environmental Sciences, 2011, 通讯作者