Multiquantum vibrational excitation of NO scattered from Au(111): Quantitative comparison of benchmark data to Ab initio theories of nonadiabatic molecule-surface interactions

  • Russell Cooper
  • , Christof Bartels
  • , Alexander Kandratsenka
  • , Igor Rahinov
  • , Neil Shenvi
  • , Kai Golibrzuch
  • , Zhisheng Li
  • , Daniel J. Auerbach
  • , John C. Tully
  • , Alec M. Wodtke

Research output: Contribution to journalArticlepeer-review

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).

Original languageEnglish
Pages (from-to)4954-4958
Number of pages5
JournalAngewandte Chemie - International Edition
Volume51
Issue number20
DOIs
StatePublished - 14 May 2012

Keywords

  • ab initio calculations
  • molecular beams
  • surface chemistry
  • surface scattering

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