（1）Enhanced carbon dioxide conversion at ambient conditions via a pore enrichment effect, Nature Communications, 2020, 通讯作者 （2）van der Waals Function for Molecular Mechanics, Journal of Physical Chemistry A, 2020, 通讯作者 （3）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 （4）Conductive Microporous Covalent Triazine-Based Framework for High-Performance Electrochemical Capacitive Energy Storage，Angewandte Chemie International Edition, 2018, 通讯作者 （5）Niobium-Doped (001)-Dominated Anatase TiO2 Nanosheets as Photoelectrode for Efficient Dye-Sensitized Solar Cells，ACS Applied Materials & Interfaces, 2017, 通讯作者 （6）Recent developments of first-principles force fields, Wiley Interdisciplinary Reviews-Computational, 2017, 通讯作者 （7）Quantitative prediction of charge mobilities of p-stacked systems by first-principles simulation, Nature Protocols, 2015, 第1作者
（8）Extraordinary capability for water treatment achieved by a perfluorous conjugated microporous polymer, Scientific Reports, 2015, 通讯作者 （9）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
（10）Efficient fixation of CO2 by a Zinc- coordinated conjugated microporous polymer, ChemSusChem, 2014, 通讯作者
（11）Three-dimensional superwetting mesh film based on graphene assembly for liquid transportation and selective absorption, ChemSusChem, 2013, 通讯作者
（12）Superhydrophobic Activated Carbon-Coated Sponges for Separation and Absorption, ChemSusChem, 2013, 通讯作者
（13）Capture and conversion of CO2 at ambient conditions by a conjugated microporous polymer, Nature Communications, 2013, 通讯作者
（14）Simulation of Hole Mobility in alpha-Oligofuran Crystals, Journal of Physical Chemistry B, 2011, 第3作者
（15）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
（16）Incorporation of graphene in quantum dot sensitized solar cells based on ZnO nanorods, Chemical Communication, 2011, 通讯作者
（17）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
（18）DFT Study of Hydrogen Storage by Spillover on Graphene with Boron Substitution, Journal of Physical Chemistry C, 2011, 通讯作者
（19）Superhydrophobic conjugated microporous polymers for separation and adsorption, Energy Environmental Sciences, 2011, 通讯作者
（20）Ultra-low resistance at TTF-TCNQ organic interfaces, Chemical Communication, 2010, 通讯作者
（21）Lithium-Doped Conjugated Microporous Polymers for Reversible Hydrogen Storage, Angewandte Chemie International Edition, 2010, 通讯作者
（22）Steric effects on the control of endo/exo-selectivity in the asymmetric cycloaddition reaction of 3,4-dimethyl-1-phenylarsole, Dalton Transactions, 2010, 通讯作者
（23）Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials, Chemical Communication, 2010, 通讯作者
（24）Uniform core-shell titanium phosphate nanospheres with orderly open nanopores: a highly active Bronsted acid catalyst, Chemical Communication, 2010, 通讯作者
（25）Nanoreactors for photocatalytic H-2 evolution in oil-water biphase systems, Physical Chemistry Chemical Physics, 2010, 通讯作者
（26）Revealing quantitative structure-activity relationships of transport properties in acene and acene derivative organic materials, Physical Chemistry Chemical Physics, 2010, 通讯作者 |
