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

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

Authors:
; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Solar Fuels (UNC EFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1385338
DOE Contract Number:  
SC0001011
Resource Type:
Journal Article
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
Journal Volume: 51; Journal Issue: 20; Related Information: UNC partners with University of North Carolina (lead); Duke University; University of Florida; Georgia Institute of Technology; University; North Carolina Central University; Research Triangle Institute; Journal ID: ISSN 1433-7851
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; catalysis (homogeneous), catalysis (heterogeneous), solar (photovoltaic), solar (fuels), photosynthesis (natural and artificial), hydrogen and fuel cells, electrodes - solar, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Cooper, Russell, Bartels, Christof, Kandratsenka, Alexander, Rahinov, Igor, Shenvi, Neil, Golibrzuch, Kai, Li, Zhisheng, Auerbach, Daniel J., Tully, John C., and Wodtke, Alec M. Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions. United States: N. p., 2012. Web. doi:10.1002/anie.201201168.
Cooper, Russell, Bartels, Christof, Kandratsenka, Alexander, Rahinov, Igor, Shenvi, Neil, Golibrzuch, Kai, Li, Zhisheng, Auerbach, Daniel J., Tully, John C., & Wodtke, Alec M. Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions. United States. doi:10.1002/anie.201201168.
Cooper, Russell, Bartels, Christof, Kandratsenka, Alexander, Rahinov, Igor, Shenvi, Neil, Golibrzuch, Kai, Li, Zhisheng, Auerbach, Daniel J., Tully, John C., and Wodtke, Alec M. Wed . "Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions". United States. doi:10.1002/anie.201201168.
@article{osti_1385338,
title = {Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions},
author = {Cooper, Russell and Bartels, Christof and Kandratsenka, Alexander and Rahinov, Igor and Shenvi, Neil and Golibrzuch, Kai and Li, Zhisheng and Auerbach, Daniel J. and Tully, John C. and Wodtke, Alec M.},
abstractNote = {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).},
doi = {10.1002/anie.201201168},
journal = {Angewandte Chemie (International Edition)},
issn = {1433-7851},
number = 20,
volume = 51,
place = {United States},
year = {2012},
month = {4}
}

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