2024-03-29T07:45:11Zhttp://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/360362021-06-23T10:25:02Zcom_10324_1159com_10324_931com_10324_894col_10324_1311
Alonso Martín, Julio Alfonso
López Santodomingo, María José
2019-05-20T12:45:42Z
2019-05-20T12:45:42Z
2018
Handbook of Materials Modeling. W. Andreoni, S. Yip (coords.). Cham: Springer, 2018, p. 1-22
978-3-319-50257-1
http://uvadoc.uva.es/handle/10324/36036
Producción Científica
Hydrogen is viewed as a possible alternative to the fossil fuels in transportation.
The technology of fuel-cell engines is fully developed, and the outstanding
remaining problem is the storage of hydrogen in the vehicle. Porous materials,
in which hydrogen is adsorbed on the pore walls, and in particular nanoporous
carbons, have been investigated as potential onboard containers. Furthermore,
metallic nanoparticles embedded in porous carbons catalyze the dissociation of
hydrogen in the anode of the fuel cells. For these reasons the interaction of
hydrogen with the surfaces of carbon materials is a topic of high technological
interest. Computational modeling and the density functional formalism (DFT)
are helping in the task of discovering the basic mechanisms of the interaction
of hydrogen with clean and doped carbon surfaces. Planar and curved graphene
provide good models for the walls of porous carbons. We first review work on
the interaction of molecular and atomic hydrogen with graphene and graphene nanoribbons, and next we address the effects due to the presence of metal clusters
on the surface because of the evidence of their role in enhancing hydrogen
storage.
Ministerio de Economía, Industria y Competitividad (Grant MAT2014-54378-R)
application/pdf
eng
Springer Link
info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
© 2018 Springer
Attribution-NonCommercial-NoDerivatives 4.0 International
Hydrogen
Hidrógeno
Carbon materials
Materiales de carbono
Graphene
Grafeno
Interaction of Hydrogen with Graphitic Surfaces, Clean and Doped with Metal Clusters
info:eu-repo/semantics/bookPart
https://link.springer.com/referenceworkentry/10.1007%2F978-3-319-50257-1_32-1