Regensburg 2019 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 15: Metal Substrates II: Adsorption and Reactivity
O 15.8: Vortrag
Montag, 1. April 2019, 16:45–17:00, Kunsthalle
Energy Dissipation Mechanisms for CO+O Association on Ru(0001) on Femtosecond Timeframes — •Manuel J. Kolb1,2,3, Frank Abild-Pedersen1,2, and Lars G.M. Pettersson3 — 1SLAC National Laboratory, Stanford, USA — 2Stanford University, Stanford, USA — 3Alba Nova, Stockholm University, Stockholm, Sweden
Recent work in our group[1] on CO+O association taking place on the Ru(0001) surface revealed that the reaction pathway exhibits two independent transition states, with the first of these being rate-determining. However, in contrast to conventional expectations, a significant population was observed in the low-energy region spanned by the two transition states. Here, we present a theoretical investigation into possible energy dissipation mechanisms which account for this increased occupation: Firstly, the energy loss due to electronic friction along the pathway. Secondly, we investigate the energy transfer to and from the individual vibrational degrees of freedom of the CO-O complex to the substrate and its influence on the individual reaction energy barriers.
[1]Henrik Öström et al., Science, 2015, 347, 6225, pp 978-982