Skip navigation
Por favor, use este identificador para citar o enlazar este ítem: http://uvadoc.uva.es/handle/10324/29140
Título: Adsorption and growth of palladium clusters on graphdiyne
Autor: Seif, A.
López Santodomingo, María José
Granja del Río, Alejandra
Azizi, K.
Alonso Martín, Julio Alfonso
Año del Documento: 2017
Editorial: Royal Society of Chemistry
Documento Fuente: Physical Chemistry Chemical Physics 19, 19094 (2017)
Resumen: The density functional formalism has been used to investigate the stability and the properties of small palladium clusters supported on graphdiyne layers. The large triangular holes existing on the graphdiyne structure provide efficient sites to hold the clusters at small distances from the plane of the graphdiyne layer. The cluster adsorption energies, between 3 and 4 eV, are large enough to maintain the clusters tightly bound to the triangular holes. The competition between dispersion of Pd atoms on graphdiyne and growth of Pd clusters in the triangular holes of the layer is also discussed. In addition, the triangular holes can be simultaneously decorated with clusters on both sides. This indicates that palladium clusters could be used to build nanostructures formed by stacked graphdiyne layers with tailored interlayer distances controlled by the size of the clusters. The size of the clusters also controls the electronic HOMO–LUMO gap of the material.
Palabras Clave: graphdiyne
palladium doping
Revisión por Pares: SI
DOI: 10.1039/C7CP03263C
Patrocinador: This work was supported by MINECO of Spain (Grant MAT2014- 54378-R)
Junta de Castilla y León (Grant VA050U14)
Idioma: eng
URI: http://uvadoc.uva.es/handle/10324/29140
Derechos: info:eu-repo/semantics/embargoedAccess
Aparece en las colecciones:DEP33 - Artículos de revista

Ficheros en este ítem:
Fichero Descripción TamañoFormato 
posprint2017PCCPSeif.pdf3,15 MBAdobe PDFThumbnail
Visualizar/Abrir

Este ítem está sujeto a una licencia Creative Commons Licencia Creative Commons Creative Commons

Comentarios
Universidad de Valladolid
Powered by MIT's. DSpace software, Version 5.5
UVa-STIC