Publicaciones en colaboración con investigadores/as de Donostia International Physics Center (23)

2023

  1. Adsorption of silanediol-like molecules on TiO2 nano-clusters: A density-functional-theoretic study

    Journal of Physics and Chemistry of Solids, Vol. 183

  2. Magnetic order and magnetic anisotropy in two-dimensional ilmenenes

    Nanoscale Advances, Vol. 5, Núm. 10, pp. 2813-2819

  3. Theoretical study of structural, electronic and magnetic properties of Co clusters embedded in an Ag matrix

    Solid State Communications, Vol. 372

2021

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

    Applied Surface Science, Vol. 559

  2. On the doping of the Ga12As12 cluster with groups p and d atomic impurities

    Theoretical Chemistry Accounts, Vol. 140, Núm. 12

2019

  1. Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption

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

2017

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

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

2016

  1. New structural and electronic properties of (TiO2)10

    Journal of Chemical Physics, Vol. 144, Núm. 23

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

2014

  1. Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 39, pp. 21732-21741

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

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. 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

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

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

  3. 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

2006

  1. Buckling in boron sheets and nanotubes

    Physica Status Solidi (A) Applications and Materials Science

  2. Density functional calculations of hydrogen adsorption on boron nanotubes and boron sheets

    Nanotechnology, Vol. 17, Núm. 3, pp. 778-785

  3. Density functional study of molecular hydrogen coverage on carbon nanotubes

    Computational Materials Science