Publicacions en col·laboració amb investigadors/es de Donostia International Physics Center (119)

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. Adiabatic and nonadiabatic energy dissipation during scattering of vibrationally excited CO from Au(111)

    Physical Review B, Vol. 100, Núm. 20

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

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

  4. Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption

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