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Non-adiabatic effects during the dissociative adsorption of O_(2) at Ag(111)? A first-principles divide and conquer study

Goikoetxea, Itziar ; Beltrán Finez, Juan Ignacio ; Meyer, Jörg ; Juristi, Iñaki ; Aducin, Maite ; Reuter, Karsten | IOP Publishing | 2012-01-24

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[...]

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