Insights into the activity of single-atom Fe-N-C catalysts for oxygen reduction reaction
oleh: Kang Liu, Junwei Fu, Yiyang Lin, Tao Luo, Ganghai Ni, Hongmei Li, Zhang Lin, Min Liu
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2022-04-01 |
Deskripsi
It is of high importance to understand the origin of single-atom Fe-N4 activity in oxygen reduction reaction. Here, the authors provide a model to understand the catalytic activity of Fe-N4 site from the spatial structure and energy level of the frontier orbitals by density functional theory calculations.