RT info:eu-repo/semantics/bookPart
T1 Interaction of Hydrogen with Graphitic Surfaces, Clean and Doped with Metal Clusters
A1 Alonso Martín, Julio Alfonso
A1 López Santodomingo, María José
K1 Hydrogen
K1 Hidrógeno
K1 Carbon materials
K1 Materiales de carbono
K1 Graphene
K1 Grafeno
AB Hydrogen is viewed as a possible alternative to the fossil fuels in transportation.The technology of fuel-cell engines is fully developed, and the outstandingremaining problem is the storage of hydrogen in the vehicle. Porous materials,in which hydrogen is adsorbed on the pore walls, and in particular nanoporouscarbons, have been investigated as potential onboard containers. Furthermore,metallic nanoparticles embedded in porous carbons catalyze the dissociation ofhydrogen in the anode of the fuel cells. For these reasons the interaction ofhydrogen with the surfaces of carbon materials is a topic of high technologicalinterest. Computational modeling and the density functional formalism (DFT)are helping in the task of discovering the basic mechanisms of the interactionof hydrogen with clean and doped carbon surfaces. Planar and curved grapheneprovide good models for the walls of porous carbons. We first review work onthe interaction of molecular and atomic hydrogen with graphene and graphene nanoribbons, and next we address the effects due to the presence of metal clusterson the surface because of the evidence of their role in enhancing hydrogenstorage.
PB Springer Link
SN 978-3-319-50257-1
YR 2018
FD 2018
LK http://uvadoc.uva.es/handle/10324/36036
UL http://uvadoc.uva.es/handle/10324/36036
LA eng
NO Handbook of Materials Modeling. W. Andreoni, S. Yip (coords.). Cham: Springer, 2018, p. 1-22
NO Producción Científica
DS UVaDOC
RD 08-may-2024