Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

GALPARSORO, OIHANA; BUSNENGO, HERIBERTO FABIO; JUARISTI, JOSEBA IÑAKI; CRESPOS, CÉDRIC; ALDUCIN, MAITE; LARREGARAY, PASCAL

JOURNAL OF CHEMICAL PHYSICS

AMER INST PHYSICS

Año: 2017 vol. 147

0021-9606

Adiabatic and non-adiabatic quasiclassical molecular dynamics simulations are performed to investigate the role of the crystal face on hot-atom abstraction of H adsorbates by H scattering from covered W(100) and W(110). On both cases, hyperthermal diffusion is strongly affected by the energy dissipated into electron-hole pair excitations. As a result, the hot-atom abstraction is highly reduced in favor of adsorption at low incidence energy and low coverages, i.e., when the mean free path of the hyperthermal H is typically larger. Qualitatively, this reduction is rather similar on both surfaces, despite at such initial conditions, the abstraction process involves more subsurface penetration on W(100) than on W(110).