Phthalo-carbonitride nanosheets as excellent N2 reduction reaction electrocatalysts: a first-principles study.
Phys Chem Chem Phys
; 24(23): 14472-14478, 2022 Jun 15.
Article
em En
| MEDLINE
| ID: mdl-35661174
ABSTRACT
Based on density functional theory computation, a series of transition metal atoms anchored on phthalo-carbonitride (pc-C3N2) nanosheets have been investigated for the nitrogen reduction reaction (NRR). The results show that Mo and W atoms anchored on the large holes of pc-C3N2 exhibit excellent performance in the NRR with low limiting potentials of -0.24 V and -0.23 V, respectively. Moreover, W@pc-C3N2 can effectively suppress the hydrogen evolution reaction. We predict that the porous carbon-nitrogen catalyst W@pc-C3N2 has a promising future to explore more favorable applications for the NRR.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2022
Tipo de documento:
Article