Publicacions en què col·labora amb Maria Jose Lopez Santodomingo (34)

2024

  1. Grand canonical Monte Carlo simulations of the hydrogen storage capacities of zeolite-templated carbon schwarzites at room temperature

    International Journal of Hydrogen Energy, Vol. 71, pp. 1363-1372

2017

  1. Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene

    Journal of Chemical Physics, Vol. 146, Núm. 21

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

  2. From graphene oxide to pristine graphene: Revealing the inner workings of the full structural restoration

    Nanoscale, Vol. 7, Núm. 6, pp. 2374-2390

  3. Interaction of hydrogen with palladium clusters deposited on graphene

    AIP Conference Proceedings

2014

  1. Palladium clusters anchored on graphene vacancies and their effect on the reversible adsorption of hydrogen

    Journal of Physical Chemistry C, Vol. 118, Núm. 10, pp. 5081-5090

2013

  1. Evolution of the atomic structure and the magnetism of small oxygen clusters

    Computational and Theoretical Chemistry, Vol. 1021, pp. 215-221

  2. Simulation of hydrogen storage in porous carbons

    Journal of Materials Research, Vol. 28, Núm. 4, pp. 589-604

2012

  1. Adsorption and dissociation of molecular hydrogen on palladium clusters supported on graphene

    Journal of Physical Chemistry C, Vol. 116, Núm. 40, pp. 21179-21189

  2. Adsorption and dissociation of molecular hydrogen on the edges of graphene nanoribbons

    Journal of Nanoparticle Research, Vol. 14, Núm. 12

  3. Density functional study of low-lying isomers of SiO4, GeO 4 and CO4, and their relation to tetrahedral solid phases

    European Physical Journal D, Vol. 66, Núm. 4

  4. The storage of hydrogen in nanoporous carbons

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

2011

  1. Simulated porosity and electronic structure of nanoporous carbons

    Journal of Chemical Physics, Vol. 135, Núm. 10

  2. Simulation of the hydrogen storage in nanoporous carbons with different pore shapes

    International Journal of Hydrogen Energy, Vol. 36, Núm. 17, pp. 10748-10759

2010

  1. Hydrogen and hydrogen clusters across disciplines

    Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems (Elsevier B.V.), pp. 299-342

  2. Hydrogen storage in nanoporous carbon

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

  3. Theoretical study of the transition from planar to three-dimensional structures of palladium clusters supported on graphene

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 3

2009

  1. A combined experimental and theoretical investigation of atomic-scale defects produced on graphite surfaces by dielectric barrier discharge plasma treatment

    Journal of Physical Chemistry C, Vol. 113, Núm. 43, pp. 18719-18729

  2. Adsorption of lithium on finite graphitic clusters

    Journal of Physical Chemistry C, Vol. 113, Núm. 3, pp. 939-941

  3. BeB2 nanostructures: A density functional study

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