Publications dans lesquelles il/elle collabore avec María Blanco Rey (17)

2017

  1. Energy loss and surface temperature effects in ab initio molecular dynamics simulations: N adsorption on Ag(111) as a case study

    Physical Review B, Vol. 96, Núm. 8

  2. Manipulating the Magnetic Moment of Palladium Clusters by Adsorption and Dissociation of Molecular Hydrogen

    Journal of Physical Chemistry C, Vol. 121, Núm. 38, pp. 20756-20762

2016

  1. Effects of electronic relaxation processes on vibrational linewidths of adsorbates on surfaces: The case of CO/Cu(100)

    Physical Review B, Vol. 94, Núm. 22

  2. Energy loss in gas-surface dynamics: Electron–hole pair and phonon excitation upon adsorbate relaxation

    Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 382, pp. 26-31

  3. Is Spillover Relevant for Hydrogen Adsorption and Storage in Porous Carbons Doped with Palladium Nanoparticles?

    Journal of Physical Chemistry C, Vol. 120, Núm. 31, pp. 17357-17364

  4. Surface electron density models for accurate ab initio molecular dynamics with electronic friction

    Physical Review B, Vol. 93, Núm. 24

2015

  1. Ab initio molecular dynamics with simultaneous electron and phonon excitations: Application to the relaxation of hot atoms and molecules on metal surfaces

    Physical Review B - Condensed Matter and Materials Physics, Vol. 92, Núm. 20

  2. 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

  3. 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

2014

  1. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

    Journal of Chemical Physics, Vol. 141, Núm. 5

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

    Physical Review Letters, Vol. 112, Núm. 10

  3. Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study

    Journal of Chemical Physics, Vol. 141, Núm. 23

2013

  1. Adiabatic energy loss in hyperthermal h atom collisions with Cu and Au: A basis for testing the importance of nonadiabatic energy loss

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 21, pp. 3735-3740

  2. 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

  3. 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. Diffusion of hydrogen in Pd assisted by inelastic ballistic hot electrons

    Physical Review Letters, Vol. 108, Núm. 11

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

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