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Por favor, use este identificador para citar o enlazar este ítem: http://uvadoc.uva.es/handle/10324/21483
Título: Interaction of Hydrogen with Palladium Clusters Deposited on Graphene
Autor: Alonso Martín, Julio Alfonso
Granja del Río, Alejandra
Cabria Álvaro, Iván
López, María J.
Año del Documento: 2015
Editorial: AIP Publishing
Descripción: Producción Científica
Documento Fuente: AIP Conference Proceedings, 2015, Vol. 1702, p. 050002:1-3
Resumen: Hydrogen adsorption on nanoporous carbon materials is a promising technology for hydrogen storage. However, pure carbon materials do not meet the technological requirements due to the week binding of hydrogen to the pore walls. Experimental work has shown that doping with Pd atoms and clusters enhances the storage capacity of porous carbons. Therefore, we have investigated the role played by the Pd dopant on the enhancement mechanisms. By performing density functional calculations, we have found that hydrogen adsorbs on Pd clusters deposited on graphene following two channels, molecular adsorption and dissociative chemisorption. However, desorption of Pd-H complexes competes with desorption of hydrogen, and consequently desorption of Pd-H complexes would spoil the beneficial effect of the dopant. As a way to overcome this difficulty, Pd atoms and clusters can be anchored to defects of the graphene layer, like graphene vacancies. The competition between molecular adsorption and dissociative chemisorption of H2 on Pd6 anchored on a graphene vacancy has been studied in detail.
Materias (normalizadas): Hidrógeno
ISSN: 0094-243X
Revisión por Pares: SI
DOI: http://dx.doi.org/10.1063/1.4938784
Patrocinador: Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA050U14)
Version del Editor: http://scitation.aip.org
Idioma: eng
URI: http://uvadoc.uva.es/handle/10324/21483
Derechos: info:eu-repo/semantics/openAccess
Aparece en las colecciones:DEP33 - Artículos de revista

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