The thermodesorption mechanism of ammonia from Ru(0001)

Thermodesorption rates for the desorption of ammonia from Ru(0 0 0 1) are calculated by Transition State Theory including small curvature tunneling corrections. The potential energy surface is derived on a model cluster employing hybrid density functional theory (B3LYP). Two desorption pathways can...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron: Tautermann, C, Wellenzohn, B, Clary, D
Fformat: Journal article
Iaith:English
Cyhoeddwyd: 2006