Construction of dual sites on FeS2 surface for enhanced electrocatalytic reduction of nitrite to ammonia.
J Colloid Interface Sci
; 678(Pt C): 242-250, 2024 Sep 14.
Article
em En
| MEDLINE
| ID: mdl-39298975
ABSTRACT
Cost-effective iron sulfides (FeS2) hold great potential as high-performance catalysts for NO2- electroreduction to NH3 (NO2ER), which is hindered by the weak NO2 activation. Herein, the design of nonmetal-doped FeS2 electrocatalysts was initially conducted by density functional theory (DFT) computations. We found that doping with different nonmetal atoms effectively not only regulates the electronic structures of the d-electrons of Fe atoms but also creates the unique p-d hybridized dual active sites, thereby boosting the efficient NO2 activation. Owing to the optimal NO2 adsorption strength, N-doped FeS2 demonstrates a low limiting potential for the NO2--to-NH3 conversion, thus significantly improving NO2ER activity. Direct experimental evidence was provided afterward an NH3 yield rate of 424.5 µmol/hcm-2 with a 92.4 % Faradaic efficiency was achieved. Our findings not only suggest a promising NO2ER catalyst through theoretical computations to guide experiments but also provide a comprehensive understanding of the structure-properties relationship.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Colloid Interface Sci
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
China
País de publicação:
Estados Unidos