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Ab Initio Investigation of Water Adsorption and Hydrogen Evolution on Co(9)S(8) and Co(3)S(4) Low-Index Surfaces
[Image: see text] We used density functional theory approach, with the inclusion of a semiempirical dispersion potential to take into account van der Waals interactions, to investigate the water adsorption and dissociation on cobalt sulfide Co(9)S(8) and Co(3)S(4)(100) surfaces. We first determined...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645533/ https://www.ncbi.nlm.nih.gov/pubmed/31459296 http://dx.doi.org/10.1021/acsomega.8b00989 |