Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study

[Image: see text] We present a computational study of the activity and selectivity of early transition-metal carbides as carbon dioxide reduction catalysts. We analyze the effects of the adsorption of CO(2) and H(2) on the (001), (011), and metal-terminated (111) surfaces of TiC and ZrC, as carbon d...

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Detalles Bibliográficos
Autores principales: Silveri, Fabrizio, Quesne, Matthew G., Viñes, Francesc, Illas, Francesc, Catlow, C. Richard A., de Leeuw, Nora H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8958596/
https://www.ncbi.nlm.nih.gov/pubmed/35359814
http://dx.doi.org/10.1021/acs.jpcc.1c10180

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8958596/
https://www.ncbi.nlm.nih.gov/pubmed/35359814
http://dx.doi.org/10.1021/acs.jpcc.1c10180

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