189 citations · 1.2k across the 33 of their papers we have counts for
4 papers · 1 filter
Electronic stopping power in gold: The role of d electrons and the H/He anomaly
M. Ahsan Zeb, J. Kohanoff, D. Sanchez-Portal +3
The electronic stopping power of H and He moving through gold is obtained to high accuracy using time-evolving density-functional theory, thereby bringing usual first-principles ac…
Diffusion of Hydrogen in Pd Assisted by Inelastic Ballistic Hot Electrons
M. Blanco-Rey, M. Alducin, J. I. Juaristi +1
Sykes {\it et al.} [Proc. Natl. Acad. Sci. {\bf 102}, 17907 (2005)] have reported how electrons injected from a scanning tunneling microscope modify the diffusion rates of H buried…
Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver surfaces
L. Martin-Gondre, M. Alducin, G. A. Bocan +2
We investigate the role played by electron-hole pair and phonon excitations in the interaction of reactive gas molecules and atoms with metal surfaces. We present a theoretical fra…
Non-adiabatic effects during the dissociative adsorption of O2 at Ag(111)? A first-principles divide and conquer study
Itziar Goikoetxea, Juan Beltrán, Jörg Meyer +3
We study the gas-surface dynamics of O2 at Ag(111) with the particular objective to unravel whether electronic non-adiabatic effects are contributing to the experimentally establis…