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Mechanistic studies of oxygen reduction and evolution reactions on Ni3S2 surfaces.
- Source :
-
Applied Catalysis A: General . Aug2021, Vol. 624, pN.PAG-N.PAG. 1p. - Publication Year :
- 2021
-
Abstract
- The Ni 3 S 2 (100) surface exhibits promising bifunctional catalytic activity towards ORR and OER. Most important of all, the ORR catalytic activity of Ni 3 S 2 (100) can be enhanced by the doping of Cu, and the OER catalytic activity of Ni 3 S 2 (100) can be improved by the doping of Se. [Display omitted] • Ni 3 S 2 (100) exhibits bifunctional catalytic activity towards ORR and OER. • The ORR catalytic activity of Ni 3 S 2 (100) can be enhanced by the doping of Cu. • The OER catalytic activity of Ni 3 S 2 (100) can be improved by the doping of Se. • A descriptor derived from the electron affinity was developed. Developing highly efficient and nonprecious electrocatalysts for oxygen-involving energy conversion reactions is crucial for the development of clean and sustainable energy technologies. Herein, the intrinsic relationship between the atomic structure and the catalytic activity of Ni 3 S 2 was investigated based on density functional theory. It was found that the Ni 3 S 2 (100) surface exhibits promising bifunctional catalytic activity towards the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER). The ORR catalytic activity of Ni 3 S 2 (100) can be enhanced by the doping of Cu, and the OER catalytic activity of Ni 3 S 2 (100) can be improved by the doping of Se. Furthermore, a descriptor derived from the electron affinity was developed, which correlate Ni 3 S 2 microstructures with their catalytic activities. This study provides a systematic understanding to the intrinsic activity of transition metal sulfides, paving the way to the rational design and development of advanced electrocatalysts for renewable energy technology. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 0926860X
- Volume :
- 624
- Database :
- Academic Search Index
- Journal :
- Applied Catalysis A: General
- Publication Type :
- Academic Journal
- Accession number :
- 152271923
- Full Text :
- https://doi.org/10.1016/j.apcata.2021.118324