Publications by the researcher in collaboration with RICARDO DIEZ MUIÑO (32)

2021

  1. Erratum: Ab Initio Molecular Dynamics Study of Alignment Resolved O2Scattering from Highly Oriented Pyrolytic Graphite (The Journal of Physical Chemistry C (2019) 123:51 (31094−31102) DOI: 10.1021/acs.jpcc.9b09774)

    Journal of Physical Chemistry C

  2. 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

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

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

2017

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

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

2016

  1. 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

2015

  1. Angular distributions and rovibrational excitation of N2 molecules recombined on N-covered Ag(1 1 1) by the Eley-Rideal mechanism

    Catalysis Today, Vol. 244, pp. 115-121

  2. Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles

    Journal of Chemical Physics, Vol. 142, Núm. 7

  3. The dynamics of adsorption and dissociation of N2 in a monolayer of iron on W(110)

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 29, pp. 19432-19445

2014

  1. Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)

    Physical Review Letters, Vol. 112, Núm. 10

  2. Surface strain improves molecular adsorption but hampers dissociation for N2 on the Fe / W (110) surface

    Physical Review Letters, Vol. 113, Núm. 6

2013

  1. Efficient N2 formation on Ag(111) by eley-rideal recombination of hyperthermal atoms

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 21, pp. 3704-3709

  2. Scattering of nitrogen atoms off Ag(111) surfaces: A theoretical study

    Journal of Physical Chemistry C, Vol. 117, Núm. 19, pp. 9779-9790

2012

  1. Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces

    Physical Review Letters, Vol. 108, Núm. 9

  2. Dissociative and non-dissociative adsorption dynamics of N 2 on Fe(110)

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 20, pp. 7471-7480

  3. Dynamics of nitrogen scattering off N-covered Ag(111)

    Journal of Physical Chemistry C, Vol. 116, Núm. 41, pp. 21903-21912

  4. Energy dissipation channels in the adsorption of N on Ag(111)

    Computational and Theoretical Chemistry, Vol. 990, pp. 126-131

  5. Erratum: Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces (Physical Review Letters (2012) 108 (096101))

    Physical Review Letters