Favorable Role of the Metal–Support Perimeter Region in Electrochemical NH(3) Synthesis: A Density Functional Theory Study on Ru/BaCeO(3)

[Image: see text] The catalytic electrochemical synthesis of NH(3) on Ru/BaCeO(3) was investigated using density functional theory. The competition between NH(3) formation and the hydrogen evolution reaction (HER) is a key for a high NH(3) formation rate. Our calculations show that H adsorbs more st...

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Detalles Bibliográficos
Autores principales: Ishikawa, Atsushi, Murase, Fumiya, Tateyama, Yoshitaka, Otomo, Junichiro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352217/
https://www.ncbi.nlm.nih.gov/pubmed/35936417
http://dx.doi.org/10.1021/acsomega.2c01222

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352217/
https://www.ncbi.nlm.nih.gov/pubmed/35936417
http://dx.doi.org/10.1021/acsomega.2c01222

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