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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

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  • C.B. and A.M.W. acknowledge support from the Alexander von Humboldt foundation. J.C.T. acknowledges generous support from the U.S. Department of Energy, grant number DE-FG02-05ER15677. N.S. acknowledges support from the UNC EFRC: Solar Fuels and Next Generation Photovoltaics, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award number DE-SC0001011.

Abstract

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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; Ts=surface temperature, P=excitation probability, and E=incidence energy of translation).

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