RT info:eu-repo/semantics/article
T1 Interaction of Hydrogen with Palladium Clusters Deposited on Graphene
A1 Alonso Martín, Julio Alfonso
A1 Granja del Río, Alejandra
A1 Cabria Álvaro, Iván
A1 López Santodomingo, María José
K1 Hidrógeno
AB 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.
PB AIP Publishing
SN 0094-243X
YR 2015
FD 2015
LK http://uvadoc.uva.es/handle/10324/21483
UL http://uvadoc.uva.es/handle/10324/21483
LA eng
NO AIP Conference Proceedings, 2015, Vol. 1702, p. 050002:1-3
NO Producción Científica
DS UVaDOC
RD 17-jul-2024