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Journal of Molecular Modeling|December 7, 2014
A DFT study on surface dependence of β-Ga2O 3 for CO 2 hydrogenation to CH 3OHJin Qu, Shik Chi Edman Tsang, Xue-Qing GongThe Journal of Chemical Physics|October 1, 2025
Unraveling the chemical nature of hydrides on doped ceria catalystsZe-Kai Yu, Zhi-Qiang Wang, Xue-Qing GongPhysical Review Letters|April 3, 2012
Adsorbate induced restructuring of TiO2(011)-(2×1) leads to one-dimensional nanocluster formationQian Cuan, Junguang Tao, Xue-Qing Gong, et al.The Journal of Physical Chemistry Letters|June 19, 2026
f-d-σ* Orbital Relay Enables Homolytic H2 Dissociation and CeO2-x OxidationZe-Kai Yu, Zhi-Qiang Wang, Xue-Qing GongNature Materials|July 18, 2006
Steps on anatase TiO2(101)Xue-Qing Gong, Annabella Selloni, Matthias Batzill, et al.Physical Chemistry Chemical Physics : PCCP|September 15, 2021
Photo-induced hydrophilicity at the ZnO(112̄0) surface: an evolutionary algorithm-aided density functional theory studyShen-Yuan Bao, Dong-Zhi Li, Xue-Qing GongACS Nano|July 31, 2015
Ordered Fe(II)Ti(IV)O3 Mixed Monolayer Oxide on Rutile TiO2(011)Sandamali Halpegamage, Pan Ding, Xue-Qing Gong, et al.Physical Chemistry Chemical Physics : PCCP|June 19, 2026
Unveiling the synergy of delocalized O 2p holes and localized Ce 4f states for enhanced NH3-SCR activity on WO3/La-CeO2 catalystZi-Yi Guo, Zhi-Qiang Wang, Xue-Qing GongPhysical Chemistry Chemical Physics : PCCP|February 14, 2012
A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2Bo Yang, Xiao-Ming Cao, Xue-Qing Gong, et al.Journal of the American Chemical Society|January 8, 2004
A systematic study of CO oxidation on metals and metal oxides: density functional theory calculationsXue-Qing Gong, Zhi-Pan Liu, Rasmita Raval, et al.Pageof 11