Publicaciones en colaboración con investigadores/as de Centro de Física de Materiales (51)

2023

  1. How Adsorbed Oxygen Atoms Inhibit Hydrogen Dissociation on Tungsten Surfaces

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 5, pp. 1246-1252

  2. When matter and information merge into “Quantum”

    Communications Physics, Vol. 6, Núm. 1

2022

  1. Cluster approach to scattering in MoS2 photoemission

    Chemical Physics, Vol. 557

  2. Giorgio Benedek: an extraordinary scientist and cultured gentleman

    Physical chemistry chemical physics : PCCP

  3. New trends and challenges in surface phenomena, carbon nanostructures and helium droplets - Festschrift for Giorgio Benedek

    Physical Chemistry Chemical Physics

  4. Scattering effects from neighboring atoms in core-level WSe2 photoemission

    Physical Review B, Vol. 105, Núm. 12

  5. Time-dependent density functional theory calculations of electronic friction in non-homogeneous media

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 34, pp. 20239-20248

2021

  1. High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

    The journal of physical chemistry. A, Vol. 125, Núm. 12, pp. 2588-2600

  2. Nonadiabatic localization of H2 in the field of two external positive tip charges

    Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, Vol. 39, Núm. 5

2020

  1. Nonadiabatic effects in gas-surface dynamics

    Springer Handbooks (Springer Science and Business Media Deutschland GmbH), pp. 929-965

  2. Structure and properties of CoCrFeNiX multi-principal element alloys from ab initio calculations

    Journal of Applied Physics, Vol. 127, Núm. 14

  3. When classical trajectories get to quantum accuracy: II. The scattering of rotationally excited H2on Pd(111)

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 39, pp. 22805-22814

2019

  1. Ab Initio Molecular Dynamics Study of Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

    Journal of Physical Chemistry C, Vol. 123, Núm. 51, pp. 31094-31102

  2. Elastic properties of the TiZrNbTaMo multi-principal element alloy studied from first principles

    Intermetallics, Vol. 106, pp. 130-140

  3. When Classical Trajectories Get to Quantum Accuracy: The Scattering of H2 on Pd(111)

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 24, pp. 7629-7635

2017

  1. Adsorption dynamics of molecular nitrogen at an Fe(111) surface

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 10, pp. 7370-7379

  2. Dissociative adsorption dynamics of nitrogen on a Fe(111) surface

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 36, pp. 24626-24635

  3. Non-adiabatic effects in elementary reaction processes at metal surfaces

    Progress in Surface Science, Vol. 92, Núm. 4, pp. 317-340

2016

  1. Density functional theory study of nitrogen atoms and molecules interacting with Fe(1 1 1) surfaces

    Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 382, pp. 105-109

  2. Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model

    Journal of Chemical Physics, Vol. 144, Núm. 24