56 citations · 84 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2014★ 28 cited
On the role of physisorption states in molecular scattering: A semi-local density-functional theory study on O2/Ag(111)
I. Goikoetxea, J. Meyer, J. I. Juaristi +2
We simulate the scattering of O from Ag(111) with classical dynamics simulations performed on a six-dimensional potential energy surface calculated within semi-local density-fu…
cond-mat.mtrl-sci2012★ 56 cited
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…