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The Journal of Chemical Physics|January 11, 2005
CHx hydrogenation on Co(0001): a density functional theory studyXue-Qing Gong, R Raval, P HuPhysical Chemistry Chemical Physics : PCCP|July 11, 2014
A DFT + U study of NO evolution at reduced CeO2(110)Jie Zhang, Xue-Qing Gong, Guanzhong LuThe Journal of Physical Chemistry. B|February 14, 2006
Density functional theory study of formic acid adsorption on anatase TiO2(001): geometries, energetics, and effects of coverage, hydration, and reconstructionXue-Qing Gong, Annabella Selloni, Andrea VittadiniPhysical Chemistry Chemical Physics : PCCP|April 1, 2020
Clarifying the impacts of surface hydroxyls on CO oxidation on CeO2(100) surfaces: a DFT+U studyHui Zhou, Dong Wang, Xue-Qing GongPhysical Chemistry Chemical Physics : PCCP|September 24, 2015
NO adsorption and diffusion on hydroxylated rutile TiO2(110)Yan-Yan Yu, Ulrike Diebold, Xue-Qing GongPhysical Chemistry Chemical Physics : PCCP|February 8, 2018
A DFT+U study of the catalytic degradation of 1,2-dichloroethane over CeO2Li-Li Yin, Guanzhong Lu, Xue-Qing GongPhysical Chemistry Chemical Physics : PCCP|September 4, 2019
A DFT+U revisit of reconstructed CeO2(100) surfaces: structures, thermostabilities and reactivitiesChong-Yuan Zhou, Dong Wang, Xue-Qing GongThe Journal of Chemical Physics|April 9, 2022
Unique catalytic mechanisms of methanol dehydrogenation at Pd-doped ceria: A DFT+U studyLu Chen, Xin-Ping Wu, Xue-Qing GongPhysical Chemistry Chemical Physics : PCCP|December 24, 2014
Role of oxygen vacancies in the surface evolution of H at CeO2(111): a charge modification effectXin-Ping Wu, Xue-Qing Gong, Guanzhong LuPhysical Chemistry Chemical Physics : PCCP|November 1, 2011
Acrolein hydrogenation on Pt(211) and Au(211) surfaces: a density functional theory studyBo Yang, Dong Wang, Xue-Qing Gong, et al.Pageof 18