The important role of surface charge on a new mechanism of nitrogen reduction.
Phys Chem Chem Phys
; 25(11): 7986-7993, 2023 Mar 15.
Article
en En
| MEDLINE
| ID: mdl-36866807
ABSTRACT
The electrocatalytic nitrogen reduction reaction (NRR) is a green and sustainable approach for producing ammonia. Low-cost carbon-based materials are promising catalysts for the electrochemical NRR. Among them, Cu-N4-graphene is a unique catalytic substrate. Its catalytic performance for the NRR has remained unclear as N2 can only be physisorbed on such a substrate. In this work, we focus on the influence of an electronic environment on the electrocatalytic NRR. DFT computations reveal that the NîN bond can be effectively activated at a surface charge density of -1.88 × 1014 e cm-2 on Cu-N4-graphene and further the NRR proceeds via an alternating hydrogenation pathway. This work offers a new insight into the mechanism of the electrocatalytic NRR and emphasizes the importance of environmental charges in the electrocatalytic process of the NRR.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2023
Tipo del documento:
Article
País de afiliación:
China