Structural Evolution of the Rhodium-Doped Silver Clusters AgnRh (n ≤ 15) and Their Reactivity toward NO

Structural properties of AgnRh (n ≤ 15) clusters are investigated using a successive growth algorithm coupled with density functional theory computations. The structures of the clusters are revisited, including a detailed discussion of their electronic properties. In contrast to these previous contr...

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Autores:

Tipo de recurso:

Fecha de publicación:

2017

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/4250

Acceso en línea:

http://hdl.handle.net/11407/4250

Palabra clave:

Adsorption
Binary alloys
Density functional theory
Electronic properties
Isomers
Rhodium
Adsorption of no
Adsorption site
Growth algorithms
Lowest energy structure
Silver cluster
Size-dependent reactivity
Stable isomers
Structural evolution
Rhodium alloys

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http://purl.org/coar/access_right/c_16ec