Publikationen in Zusammenarbeit mit Forschern von Universidad de Valladolid (64)

2024

  1. Li-decorated BC3 nanopores: Promising materials for hydrogen storage

    International Journal of Hydrogen Energy, Vol. 57, pp. 26-38

  2. Usable hydrogen-storage capacities of Li-decorated borophene nanopores in charge-discharge cycles

    Journal of Energy Storage, Vol. 92

2023

  1. On the impact of initial conditions in the forecast of Hurricane Leslie extratropical transition

    Atmospheric Research, Vol. 295

2021

  1. Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure

    International Journal of Hydrogen Energy, Vol. 46, Núm. 29, pp. 15724-15737

  2. Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study

    Applied Surface Science, Vol. 562

  3. Static structure, collective dynamics and transport coefficients in the liquid Li-Pb alloy. An ab initio molecular dynamics study

    Journal of Molecular Liquids, Vol. 344

2020

  1. Borophene vs. graphene interfaces: Tuning the electric double layer in ionic liquids

    Journal of Molecular Liquids, Vol. 303

2019

  1. Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study

    International Journal of Hydrogen Energy, Vol. 44, Núm. 2, pp. 1021-1033

  2. Tunable gap in stable arsenene nanoribbons opens the door to electronic applications

    RSC Advances, Vol. 9, Núm. 21, pp. 11818-11823

2018

  1. Density Functional Study of Charge Transfer at the Graphene/Ionic Liquid Interface

    Journal of Physical Chemistry C, Vol. 122, Núm. 27, pp. 15070-15077

2017

  1. Ab initio study of intrinsic profiles of liquid metals and their reflectivity

    EPJ Web of Conferences

  2. What will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 2, pp. 1054-1061

2016

  1. Spin-polarized transport in hydrogen-passivated graphene and silicene nanoribbons with magnetic transition-metal substituents

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 32, pp. 22606-22616

2015

  1. Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains

    Journal of Physics Condensed Matter, Vol. 27, Núm. 13

  2. Structural, magnetic, and vibrational properties of stoichiometric clusters of CrN

    International Journal of Quantum Chemistry, Vol. 115, Núm. 8, pp. 523-528

  3. Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study

    International Journal of Hydrogen Energy

2014

  1. Spin-dependent electronic conduction along zigzag graphene nanoribbons bearing adsorbed Ni and Fe nanostructures

    Journal of Physics Condensed Matter, Vol. 26, Núm. 16

2013

  1. Molecular hydrogen uptake by zigzag graphene nanoribbons doped with early 3d transition-metal atoms

    International Journal of Hydrogen Energy, Vol. 38, Núm. 21, pp. 8872-8880

  2. Static structure, microscopic dynamics and electronic properties of the liquid Bi-Li alloy. An ab initio molecular dynamics study

    Modelling and Simulation in Materials Science and Engineering, Vol. 21, Núm. 7

2012

  1. Al enhances the H 2 storage capacity of graphene at nanoribbon borders but not at central sites: A study using nonlocal van der Waals density functionals

    Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 12