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Wiley, Angewandte Chemie International Edition, 20(51), p. 4954-4958, 2012

DOI: 10.1002/anie.201201168

Wiley, Angewandte Chemie, 20(124), p. 5038-5042, 2012

DOI: 10.1002/ange.201201168

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Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions

Journal article published in 2012 by Russell Cooper, Christof Bartels, Alexander Kandratsenka, Igor Rahinov ORCID, Neil Shenvi, Kai Golibrzuch ORCID, Zhisheng Li, Daniel J. Auerbach, John C. Tully, Alec M. Wodtke
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Abstract

Surface phenomena: measurements of absolute probabilities are reported for the vibrational excitation of NO(v=0→1,2) molecules scattered from a Au(111) surface. These measurements were quantitatively compared to calculations based on ab initio theoretical approaches to electronically nonadiabatic molecule-surface interactions. Good agreement was found between theory and experiment (see picture; T(s) =surface temperature, P=excitation probability, and E=incidence energy of translation).