A two-dimensional covalent organic framework with single-atom manganese for electrochemical NO reduction: a computational study.
Phys Chem Chem Phys
; 26(21): 15120-15124, 2024 May 29.
Article
em En
| MEDLINE
| ID: mdl-38752288
ABSTRACT
Covalent organic frameworks (COFs) exhibit great potential for electrocatalysis. Here, using DFT calculations and constant-potential modelling, we report the feasibility of a series of COFs toward NO reduction via regulating their central metal atoms and linking ligands. A COF with single-atom Mn is identified to possess superior activity while maintaining high NH3 selectivity.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article