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Disentangling the Role of Electrons and Phonons in the Photoinduced CO Desorption and CO Oxidation on (O,CO)-Ru(0001)
Auguste Tetenoire, J. I. Juaristi, M. Alducin
The role played by electronic and phononic excitations in the femtosecond laser induced desorption and oxidation of CO coadsorbed with O on Ru(0001) is investigated using ab initio…
Photo-Induced CO Desorption Dominates over Oxidation on Different O+CO Covered Ru(0001) Surfaces
Auguste Tetenoire, J. Iñaki Juaristi, Maite Alducin
The photo-induced desorption and oxidation of CO on Ru(0001) is simulated using ab initio molecular dynamics with electronic friction that accounts for the non-equilibrated excited…
Vibrational dynamics of CO on Pd(111) in and out of thermal equilibrium
Raúl Bombín, Alberto S. Muzas, Dino Novko +2
Using many-body perturbation theory and density functional perturbation theory, we study the vibrational spectra of the internal stretch (IS) mode of CO on Pd(111) for the bridge a…