61 citations · 555 across the 26 of their papers we have counts for
24 papers
Interplay between electronic and phononic energy dissipation channels in the adsorption of CO on Cu(110)
Carmen A. Tachino, Federio J. Gonzalez, Alberto S. Muzas +3
In this work, we investigate the relative importance of electronic and phononic energy dissipation during the molecular adsorption of CO on Cu(110). Initial sticking probabilities…
Ab initio insights into plasmonic and strong-field contributions to H dissociation on silver nanoshells
Natalia E. Koval, J. Iñaki Juaristi, Maite Alducin
Modeling plasmonic catalysis by applying femtosecond laser pulses of high intensity ( W cm), although justified by the time-dependent density functional the…
Asymmetry and coverage dependence in two-pulse correlation measurements of CO photodesorption from Pd(111): Insights from theory
Raúl Bombín, Alberto S. Muzas, Alfredo Serrano Jiménez +2
Two-pulse correlation experiments performed using pulses of different intensities on Pd(111) with different CO coverages showed that the CO photodesorption probability depends on w…
Dynamic Training Enhances Machine Learning Potentials for Long-Lasting Molecular Dynamics
Ivan Žugec, Tin Hadži Veljković, Maite Alducin +1
Molecular Dynamics (MD) simulations are vital for exploring complex systems in computational physics and chemistry. While machine learning methods dramatically reduce computational…
Scattering of CO from Vacant-MoSe with O Adsorbates: Is CO Formed?
Raúl Bombín, Ricardo Díez Muiño, J. Iñaki Juaristi +1
Using ab initio molecular dynamics (AIMD) simulations, based on density functional theory that also accounts for van der Waals interactions, we study the oxidation of gas phase CO…
Strong-field effects in the photo-induced dissociation of the hydrogen molecule on a silver nanoshell
Natalia E. Koval, J. Iñaki Juaristi, Maite Alducin
Plasmonic catalysis is a rapidly growing field of research, both from experimental and computational perspectives. Experimental observations demonstrate an enhanced dissociation ra…