Publications en collaboration avec des chercheurs 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