With potential applications in various fields, gold related catalysts have received intensive attentions. In the past decade, mechanisms of gold catalysis for low-temperature CO oxidation, NOx oxidation/reduction, sel...With potential applications in various fields, gold related catalysts have received intensive attentions. In the past decade, mechanisms of gold catalysis for low-temperature CO oxidation, NOx oxidation/reduction, selective oxidation of alcohols have been investigated both experimentally and theoretically based on model catalysts using free or supported gold nanoparticles and single crystal gold surfaces. In this short review, we summarize recent theoretical studies on molecular oxygen activation process, water or hydroxyl involved oxidation reaction, and also the effect of local structure on the reactivity and selectivity.展开更多
基金financially supported by the National Natural Science Foundation of China(21103156,21233007)the National Basic Research Program of China(2013CB933104,2010CB923301)+3 种基金MOE Fundamental Research Funds for the Central Universities,General Financial Grant from the China Postdoctoral Science Foundation(2012M510159)the USTC-HP HPC projectthe USTC-Lenovo 1800 projectShanghai Supercomputer Center
文摘With potential applications in various fields, gold related catalysts have received intensive attentions. In the past decade, mechanisms of gold catalysis for low-temperature CO oxidation, NOx oxidation/reduction, selective oxidation of alcohols have been investigated both experimentally and theoretically based on model catalysts using free or supported gold nanoparticles and single crystal gold surfaces. In this short review, we summarize recent theoretical studies on molecular oxygen activation process, water or hydroxyl involved oxidation reaction, and also the effect of local structure on the reactivity and selectivity.
