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Your search keyword '"Crespos, Cédric"' showing total 2 results
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2 results on '"Crespos, Cédric"'

1. Hydrogen abstraction from metal surfaces: When electron-hole pair excitations strongly affect hot-atom recombination

Author

Galparsoro, Oihana, Pétuya, Rémi, Busnengo, Fabio, Juaristi, Joseba Iñaki, Crespos, Cédric, Alducin, Maite, and Larregaray, Pascal

Subjects
Condensed Matter - Materials Science, Physics - Chemical Physics
Abstract

Using molecular dynamics simulations, we predict that the inclusion of nonadiabatic electronic excitations influences the dynamics of preadsorbed hydrogen abstraction from the W(110) surface by hydrogen scattering. The hot-atom recombination, which involves hyperthermal diffusion of the impinging atom on the surface, is significantly affected by the dissipation of energy mediated by electron-hole pair excitations at low coverage and low incidence energy. This issue is of importance as this abstraction mechanism is thought to largely contribute to molecular hydrogen formation from metal surfaces.

Published
2024
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2. Isotope effects in Eley–Rideal abstraction of hydrogen from tungsten surfaces: the role of dissipation.

Author

Galparsoro, Oihana, Martin-Barrios, Raidel, Ibañez-Almaguer, Paulo Enrique, Márquez-Mijares, Maykel, Cremé, José David, Silva-Solis, Yosvany, Rubayo-Soneira, Jesús, Crespos, Cédric, and Larregaray, Pascal

Abstract

Molecular dynamics simulations are performed to investigate the influence of isotope substitutions on the Eley–Rideal recombination dynamics of hydrogen isotopes from the (100) and (110) surfaces of tungsten. Dissipation of electrons and phonons is taken into account by, respectively, the local density friction approximation and the general Langevin oscillator, effective models which have been intensively used in recent years. As the coupling to surface phonons and electrons might be altered by the mass combination, the main objective of the paper is to assess the role of dissipation to the surface in the course of abstraction. [ABSTRACT FROM AUTHOR]

Published
2025
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