Argitalpenak (119) MARIA JOSE LOPEZ SANTODOMINGO argitalpenak

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

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

    Computational Materials Science, Vol. 245

  3. Separation of CO2/CH4 gas mixtures using nanoporous graphdiyne and boron-graphdiyne membranes: influence of the pore size

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 22, pp. 15916-15926

2023

  1. Supported Metal Nanohydrides for Hydrogen Storage

    Chemistry of Materials, Vol. 35, Núm. 3, pp. 1134-1147

2022

  1. Catalytic activity of Co–Ag nanoalloys to dissociate molecular hydrogen. New insights on the chemical environment

    International Journal of Hydrogen Energy, Vol. 47, Núm. 44, pp. 19038-19050

  2. Infrared spectra and structures of C60Rhn+ complexes

    Carbon, Vol. 197, pp. 535-543

  3. Palladium clusters, free and supported on surfaces, and their applications in hydrogen storage

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 5, pp. 2729-2751

2021

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

    Applied Surface Science, Vol. 559

  2. Adsorption of transition metal clusters on Boron-graphdiyne

    Applied Surface Science, Vol. 548

  3. C60Con complexes as hydrogen adsorbing materials

    International Journal of Hydrogen Energy, Vol. 46, Núm. 39, pp. 20594-20606

  4. Interaction of hydrogen with palladium–copper nanoalloys

    Theoretical Chemistry Accounts, Vol. 140, Núm. 4

2020

  1. (Invited) Dimerization of C<sub>30</sub>H<sub>10</sub> Employing the Diels-Alder Cycloaddition Reaction

    ECS Meeting Abstracts, Vol. MA2020-01, Núm. 9, pp. 779-779

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

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

  3. Interaction of Hydrogen with Graphitic Surfaces, Clean and Doped with Metal Clusters

    Handbook of Materials Modeling: Applications: Current and Emerging Materials, Second Edition (Springer International Publishing), pp. 545-566

  4. 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

  5. Reactivity of Cobalt-Fullerene Complexes towards Deuterium

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

2019

  1. Bimetallic al-sn clusters: Mixing at the nanoscale

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 41, pp. 22919-22929

  2. Decide: An extended devops framework for multi-cloud applications

    PervasiveHealth: Pervasive Computing Technologies for Healthcare

  3. Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption

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

  4. Singlet oxygen photogeneration by ethanolic extract of Syzygium cumini fruits: Theoretical elucidation through excited states computations

    Chemical Physics Letters, Vol. 715, pp. 51-55