TY  - JOUR
AU  - Goikoetxea, Itziar
AU  - Beltrán Fínez, Juan Ignacio
AU  - Meyer, Jörg
AU  - Juristi, Iñaki
AU  - Aducin, Maite
AU  - Reuter, Karsten
PY  - 2012
DO  - 10.1088/1367-2630/14/1/013050
SN  - 1367-2630
UR  - https://hdl.handle.net/20.500.14352/44682
T2  - New journal of physics
AB  - We study the gas-surface dynamics of O_(2) at Ag(111) with the particular objective to unravel whether electronic non-adiabatic effects are contributing to the experimentally established inertness of the surface with respect to oxygen uptake. We...
LA  - eng
PB  - IOP Publishing
KW  - Potential-energy surfaces
KW  - 6-dimensional quantum dynamics
KW  - Nondissociative sitcking
KW  - Classical dynamics
KW  - Oxygen-adsorption
KW  - Silver surfaces
KW  - H-2
KW  - Desorption
KW  - Chemisorption
KW  - Networks.
TI  - Non-adiabatic effects during the dissociative adsorption of O_(2) at Ag(111)? A first-principles divide and conquer study
TY  - journal article
VL  - 14
ER  -