Dual-site OER mechanism exploration through regulating asymmetric multi-site NiOOH.
Nanoscale
; 16(28): 13694-13702, 2024 Jul 18.
Article
em En
| MEDLINE
| ID: mdl-38967458
ABSTRACT
Asymmetric nickel oxyhydroxide (NiOOH) possesses multi-OH and O active sites on different surfaces, (001) and (001Ì), which possibly causes a complicated catalytic process. Density functional theory (DFT) calculations reveal that the unconventional dual-site mechanism (UDSM) of the oxygen evolution reaction (OER) on NiOOH (001) and (001Ì) exhibits significantly lower overpotentials of 0.80 and 0.77 V, compared to 1.24 and 1.62 V for the single-site mechanism (SSM), respectively. Through chemical doping or heterojunction modifications, the constructed NiOOH@FeOOH (001Ì) heterojunction reduces the thermodynamic overpotential to 0.49 V from original 0.77 V undergoing the UDSM. Although Fe/Co-doping or physical compression yield similar or slightly higher overpotentials and are not conductive to facilitating the OER process by the UDSM, all dual-site paths exhibit obviously lower overpotentials than the SSM for pristine and regulated NiOOH (001) and (001Ì) from the whole viewpoint. This work identifies a more reasonable and efficient dual-site OER mechanism, which is expected to help the rational design of highly-efficient electrocatalysts.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Nanoscale
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
China
País de publicação:
Reino Unido