Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (104)

2024

  1. Multicoverage Study of Femtosecond Laser-Induced Desorption of CO from Pd(111)

    Journal of Physical Chemistry Letters, Vol. 15, Núm. 9, pp. 2587-2594

  2. Understanding the Photoinduced Desorption and Oxidation of CO on Ru(0001) Using a Neural Network Potential Energy Surface

    JACS Au, Vol. 4, Núm. 5, pp. 1997-2004

2023

  1. Anomalous transient blueshift in the internal stretch mode of CO/Pd(111)

    Physical Review B, Vol. 107, Núm. 12

  2. Disentangling the role of electrons and phonons in the photoinduced CO desorption and CO oxidation on (O,CO)-Ru(0001)

    Frontiers in Chemistry, Vol. 11

  3. Femtosecond Laser-Induced Desorption of Hydrogen Molecules from Ru(0001): A Systematic Study Based on Machine-Learned Potentials

    Journal of Physical Chemistry C, Vol. 127, Núm. 30, pp. 14756-14764

  4. Photoinduced CO Desorption Dominates over Oxidation on Different O + CO Covered Ru(0001) Surfaces

    Journal of Physical Chemistry C, Vol. 127, Núm. 21, pp. 10087-10096

  5. Vibrational dynamics of CO on Pd(111) in and out of thermal equilibrium

    Physical Review B, Vol. 108, Núm. 4

2022

  1. Absence of isotope effects in the photo-induced desorption of CO from saturated Pd(111) at high laser fluence

    Chemical Physics, Vol. 558

  2. Adsorption and dissociation of diatomic molecules on monolayer 1H-MoSe2

    Physical Review B, Vol. 105, Núm. 3

  3. O2 on Ag(110): A puzzle for exchange-correlation functionals

    Chemical Physics, Vol. 554

  4. Why Ultrafast Photoinduced CO Desorption Dominates over Oxidation on Ru(0001)

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 36, pp. 8516-8521

2021

  1. Absence of spillover of hydrogen adsorbed on small palladium clusters anchored to graphene vacancies

    Applied Surface Science, Vol. 559

  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

  3. Insights into the Coadsorption and Reactivity of O and CO on Ru(0001) and Their Coverage Dependence

    Journal of Physical Chemistry C, Vol. 125, Núm. 23, pp. 12614-12627

  4. Photoinduced Desorption Dynamics of CO from Pd(111): A Neural Network Approach

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 8, pp. 4648-4659

2020

  1. 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. CO Stretch Vibration Lives Long on Au(111)

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 5, pp. 1043-1047

  3. Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption

    Journal of Physical Chemistry C, Vol. 123, Núm. 24, pp. 15236-15243

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

    Intermetallics, Vol. 106, pp. 130-140