Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Alonso Martín, Julio Alfonso"'
Publikováno v:
Molecular Catalysis. 533:112749
Producción Científica
Density Functional Theory (DFT) simulations have been performed to study the CO oxidation reaction on a pure Pt18 cluster, and on Nb- and Mo-doped NbPt17 and MoPt17 clusters. The results show that a specially stable confo
Density Functional Theory (DFT) simulations have been performed to study the CO oxidation reaction on a pure Pt18 cluster, and on Nb- and Mo-doped NbPt17 and MoPt17 clusters. The results show that a specially stable confo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd1e0ec23efd749af094bace218fa357
https://doi.org/10.1016/j.mcat.2022.112749
https://doi.org/10.1016/j.mcat.2022.112749
Publikováno v:
Handbook of Materials Modeling ISBN: 9783319502571
UVaDOC. Repositorio Documental de la Universidad de Valladolid
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UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
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.
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.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dba4f63810768c9f53962926525547d1
https://doi.org/10.1007/978-3-319-44680-6_32
https://doi.org/10.1007/978-3-319-44680-6_32
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
The most stable form of solid carbon is graphite, a stacking of graphene 2 layers in which the carbon atoms show sp2 hybridization which leads to strong intra3 layer bonding. Diamond is a denser phase, obtained at high pressure. In diamond the 4 carb
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::8f52328a42daa1d7f5cc5a8d03ad4e44
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
Producción Científica
Ab initio density functional simulations have been performed to study the adsorption of aromatic molecules (benzene and toluene) on small Aun clusters. The calculations reveal a strong interaction between gold and electro
Ab initio density functional simulations have been performed to study the adsorption of aromatic molecules (benzene and toluene) on small Aun clusters. The calculations reveal a strong interaction between gold and electro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::59f4ef30c9f00f5ecb35dcc9bd1bef0d
http://uvadoc.uva.es/handle/10324/29146
http://uvadoc.uva.es/handle/10324/29146
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
Producción Científica
Simulations of the hydrogen storage capacities of nanoporous carbons require an accurate treatment of the interaction of the hydrogen molecule with the graphite-like surfaces of the carbon pores, which is dominated by the
Simulations of the hydrogen storage capacities of nanoporous carbons require an accurate treatment of the interaction of the hydrogen molecule with the graphite-like surfaces of the carbon pores, which is dominated by the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92fac26bd55e3923e81c04018c5ca611
https://doi.org/10.1063/1.4984106
https://doi.org/10.1063/1.4984106
Autor:
Ferrari, Piero, Molina Martín, Luis Miguel, Kaydashev, Vladimir E., Alonso Martín, Julio Alfonso, Lievens, Peter, Janssens, Ewald
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
The study of small clusters, particles composed of only a few atoms, is not only interesting because of their intrinsic physical properties, strongly influenced by quantum confinement and subjected to significant size-to-size variations, but also bec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::3623728bdbc04d92a2b59b5c6b9668e0
Autor:
Alonso Martín, Julio Alfonso, Granja del Río, Alejandra, Cabria Álvaro, Iván, López Santodomingo, María José
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
Producción Científica
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
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b125bb8147577c223a03a61d2a641d85
https://doi.org/10.1063/1.4938784
https://doi.org/10.1063/1.4938784
Autor:
Granja del Río, Alejandra
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
El propósito de esta tesis es investigar la interacción y la adsorción de hidrógeno en carbones nanoporosos dopados con paladio empleando simulaciones de DFT. Por otro lado, el mecanismo del “spillover” ha sido propuesto como explicación par
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce13ececa1fdbc4535cd7380fffa3c26
https://doi.org/10.35376/10324/35346
https://doi.org/10.35376/10324/35346
Autor:
Marcos Martínez, Diego
Publikováno v:
UVaDOC: Repositorio Documental de la Universidad de Valladolid
Universidad de Valladolid
UVaDOC. Repositorio Documental de la Universidad de Valladolid
Consejo Superior de Investigaciones Científicas (CSIC)
Universidad de Valladolid
UVaDOC. Repositorio Documental de la Universidad de Valladolid
Consejo Superior de Investigaciones Científicas (CSIC)
La búsqueda de fuentes de energía alternativas a los combustibles fósiles sitúa al hidrógeno como un importante candidato a ser la fuente de energía del futuro. Una forma de almacenarlo consiste en utilizar materiales porosos de carbono. La cap
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::69354bfe7f29631de75ef25545cbb654
http://uvadoc.uva.es/handle/10324/38253
http://uvadoc.uva.es/handle/10324/38253
Autor:
Marín Villa, Pelayo
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
Consejo Superior de Investigaciones Científicas (CSIC)
UVaDOC: Repositorio Documental de la Universidad de Valladolid
Universidad de Valladolid
Consejo Superior de Investigaciones Científicas (CSIC)
UVaDOC: Repositorio Documental de la Universidad de Valladolid
Universidad de Valladolid
Existen algunas situaciones en las que dos metales inmiscibles en la fase macroscópica (bulk ) forman, sorprendentemente, algunos agregados atómicos bimetálicos muy estables. En este trabajo el objetivo investigaremos la razón de esta miscibilida
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::553cb0358dab616d34e2ce2baf7be3aa
http://uvadoc.uva.es/handle/10324/38258
http://uvadoc.uva.es/handle/10324/38258