Water-gas-shift reaction over Au single-atom catalysts with reversible oxide supports: A density functional theory study
Tianyao Shen, Pan Yin, Yingjie Lai, Jiaming Xu, Jing‐Yi Guo, Wei Zhang, Min Pu, Hong Yan, Min Wei
Topics & Concepts
CatalysisDensity functional theoryChemistryDissociation (chemistry)Water-gas shift reactionOxideFormateAdsorptionHydrogenPhysical chemistryComputational chemistryInorganic chemistryOrganic chemistryCatalytic Processes in Materials ScienceNanomaterials for catalytic reactionsCatalysis and Hydrodesulfurization Studies