Simultaneously Achieving High Activity and Selectivity toward Two-Electron O 2 Electroreduction: The Power of Single-Atom Catalysts
Beijing University of Chemical Technology · University of Puerto Rico System · +2 more institutions
Abstract
On-site production of hydrogen peroxide (H2O2) using electrochemical methods could be more efficient than the current industrial process. However, due to the existence of scaling relations for the adsorption of reaction intermediates, there is a long established trade-off between the activity and selectivity of the catalysts, as the enhancement of catalytic activity is typically accompanied by a four-electron O2 reduction reaction (ORR), leading to the reduced selectivity for the H2O2 production. Herein, by means of density functional theory (DFT) computations, we reported the feasibility of several classes of important and representative experimentally achievable single-atom catalysts (SACs) toward…
Citation impact
- FWCI
- 10.41
- Percentile
- 100%
- References
- 87
Authors
6- XGXiangyu Guo
Beijing University of Chemical Technology
- SLShiru Lin
University of Puerto Rico System
- JGJinxing Gu
University of Puerto Rico System
- SZShengli ZhangCorresponding
Nanjing University of Science and Technology, Ministry of Industry and Information Technology
- ZCZhongfang ChenCorresponding
University of Puerto Rico System
Topics & keywords
- Overpotential
- Selectivity
- Catalysis
- Chemistry
- Density functional theory
- Combinatorial chemistry
- Hydrogen peroxide
- Electron transfer