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Unveiling the mechanism of high-performance hydrogen evolution reaction on noble-metal-free (113)-faceted Ni(3)C: ab initio calculations
To examine the reactivity of noble-metal-free Ni(3)C towards hydrogen evolution reaction (HER), we report a comprehensive first-principles density functional theory (DFT) study on the stability, geometric structure, electronic characteristics, and catalytic activity for HER on the Ni(3)C crystal (11...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8978809/ https://www.ncbi.nlm.nih.gov/pubmed/35425148 http://dx.doi.org/10.1039/d1ra07448b |