Mechanisms of Oxidase and Superoxide Dismutation-like Activities of Gold, Silver, Platinum, and Palladium, and Their Alloys: A General Way to the Activation of Molecular Oxygen
Institute of High Energy Physics · Chinese Academy of Sciences · +2 more institutions
Abstract
Metal and alloy nanomaterials have intriguing oxidase- and superoxide dismutation-like (SOD-like) activities. However, origins of these activities remain to be studied. Using density functional theory (DFT) calculations, we investigate mechanisms of oxidase- and SOD-like properties for metals Au, Ag, Pd and Pt and alloys Au4-xMx (x = 1, 2, 3; M = Ag, Pd, Pt). We find that the simple reaction-dissociation of O2-supported on metal surfaces can profoundly account for the oxidase-like activities of the metals. The activation (Eact) and reaction energies (Er) calculated by DFT can be used to effectively predict the activity. As verification, the calculated activity orders for series of metal and alloy nanomaterials…
Citation impact
- FWCI
- 7.58
- Percentile
- 100%
- References
- 61
Authors
6- XSXiaomei ShenCorresponding
Institute of High Energy Physics, Chinese Academy of Sciences, Jiangxi Normal University
- WLWenqi Liu
National Center for Nanoscience and Technology
- XJXuejiao J. Gao
Chinese Academy of Sciences, Jiangxi Normal University, Institute of High Energy Physics
- ZLZhang‐Hui Lu
Jiangxi Normal University
- XWXiaochun Wu
National Center for Nanoscience and Technology
Topics & keywords
- Chemistry
- Nanomaterials
- Palladium
- Catalysis
- Metal
- Platinum
- Density functional theory
- Oxygen