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...

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Detalles Bibliográficos
Autores principales: Fronzi, Marco, Assadi, M. Hussein N., Ford, Michael J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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

Internet

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

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