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Kinetic and mechanistic analysis of NH(3) decomposition on Ru(0001), Ru(111) and Ir(111) surfaces

We investigated the catalytic NH(3) decomposition on Ru and Ir metal surfaces using density functional theory. The reaction mechanisms were unraveled on both metals, considering that, on the nano-scale, Ru particles may also present an fcc structure, hence, leading to three energy profiles. We imple...

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Detalles Bibliográficos
Autores principales:	Lu, Xiuyuan, Zhang, Jing, Chen, Wen-Kai, Roldan, Alberto
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9418880/ https://www.ncbi.nlm.nih.gov/pubmed/36132568 http://dx.doi.org/10.1039/d1na00015b

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