Publicacions en col·laboració amb investigadors/es de Donostia International Physics Center (32)

2024

  1. Pt3Zr alloy as a protective coating against oxidation and hydrogen attack on Zr-based components in nuclear reactors

    Computational Materials Science, Vol. 245

2021

  1. Absence of spillover of hydrogen adsorbed on small palladium clusters anchored to graphene vacancies

    Applied Surface Science, Vol. 559

2020

  1. Dimerization of pentacyclopentacorannulene C30H10 as a strategy to produce C60H20 as a precursor for C60

    RSC Advances, Vol. 10, Núm. 7, pp. 3689-3693

  2. Nanoalloys of Metals Which Do Not Form Bulk Alloys: The Case of Ag-Co

    Journal of Physical Chemistry A, Vol. 124, Núm. 32, pp. 6468-6477

  3. Reactivity of Cobalt-Fullerene Complexes towards Deuterium

    ChemPhysChem, Vol. 21, Núm. 10, pp. 1012-1018

2019

  1. Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption

    Journal of Physical Chemistry C, Vol. 123, Núm. 24, pp. 15236-15243

2018

  1. Theoretical study of the adsorption of hydrogen on cobalt clusters

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 32, pp. 21163-21176

2017

  1. Competition between Palladium Clusters and Hydrogen to Saturate Graphene Vacancies

    Journal of Physical Chemistry C, Vol. 121, Núm. 20, pp. 10843-10850

  2. Manipulating the Magnetic Moment of Palladium Clusters by Adsorption and Dissociation of Molecular Hydrogen

    Journal of Physical Chemistry C, Vol. 121, Núm. 38, pp. 20756-20762

2016

  1. Is Spillover Relevant for Hydrogen Adsorption and Storage in Porous Carbons Doped with Palladium Nanoparticles?

    Journal of Physical Chemistry C, Vol. 120, Núm. 31, pp. 17357-17364

2015

  1. Competition between molecular and dissociative adsorption of hydrogen on palladium clusters deposited on defective graphene

    RSC Advances, Vol. 5, Núm. 59, pp. 47945-47953

2012

  1. The storage of hydrogen in nanoporous carbons

    Journal of the Mexican Chemical Society, Vol. 56, Núm. 3, pp. 261-269

2010

  1. Hydrogen storage in nanoporous carbon

    Handbook of Nanophysics: Functional Nanomaterials (CRC Press), pp. 41-1-41-16

  2. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    Journal of Chemical Physics, Vol. 132, Núm. 4

2009

  1. BeB2 nanostructures: A density functional study

    Many-body Theory Of Molecules, Clusters And Condensed Phases (World Scientific Publishing Co. Pte. Ltd.), pp. 870-873

  2. BeB2 nanostructures: A density functional study

    Many-body Theory Of Molecules, Clusters And Condensed Phases (World Scientific Publishing Co. Pte. Ltd.), pp. 860-869

2008

  1. Half-metallic finite zigzag single-walled carbon nanotubes from first principles

    Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 3

  2. Hydrogen storage capacities of nanoporous carbon calculated by density functional and Møller-Plesset methods

    Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 7

  3. Hydrogen storage in pure and Li-doped carbon nanopores: Combined effects of concavity and doping

    Journal of Chemical Physics, Vol. 128, Núm. 14

  4. Shape of the hydrogen adsorption regions of MOF-5 and its impact on the hydrogen storage capacity

    Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 20