A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory

In this review, we present the recent progress in ammonia synthesis research using density functional theory (DFT) calculations on various industrial catalysts, metal nitrides and nano-cluster-supported catalysts. The mechanism of ammonia synthesis on the industrial Fe catalyst is generally accepted...

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Detalles Bibliográficos
Autores principales: Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said, Catlow, C. Richard A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8564627/
https://www.ncbi.nlm.nih.gov/pubmed/34737878
http://dx.doi.org/10.1098/rsos.210952

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8564627/
https://www.ncbi.nlm.nih.gov/pubmed/34737878
http://dx.doi.org/10.1098/rsos.210952

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