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Determination of the adsorption site of a polyatomic adsorbate using vibrational spectroscopy and ab initio calculations: methoxy on Cu(100)

Andersson, Martin LU and Uvdal, Per LU (2002) Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21) In 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science
Abstract
Using vibrational spectroscopy and ab initio electronic structure calculations of small metal cluster models we have determined the adsorption site of methoxy on Cu(100). The experimental vibrational frequencies are very well reproduced by the model cluster representing the four-fold hollow adsorption site in contrast to calculated frequencies for model clusters representing bridge and on-top adsorption
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author
organization
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
keywords
Cu(100) substrate, metal cluster models, electronic structure, methoxy, ab initio calculations, polyatomic adsorption, vibrational spectroscopy, vibrational frequency, four-fold hollow adsorption site, Cu
in
7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science
pages
2 pages
publisher
Lund University
conference name
Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21)
language
English
LU publication?
yes
id
13f0ba1f-32a9-42f5-84c8-399da95450e2 (old id 611837)
date added to LUP
2007-11-23 14:14:55
date last changed
2016-04-16 08:22:09
@misc{13f0ba1f-32a9-42f5-84c8-399da95450e2,
  abstract     = {Using vibrational spectroscopy and ab initio electronic structure calculations of small metal cluster models we have determined the adsorption site of methoxy on Cu(100). The experimental vibrational frequencies are very well reproduced by the model cluster representing the four-fold hollow adsorption site in contrast to calculated frequencies for model clusters representing bridge and on-top adsorption},
  author       = {Andersson, Martin and Uvdal, Per},
  keyword      = {Cu(100) substrate,metal cluster models,electronic structure,methoxy,ab initio calculations,polyatomic adsorption,vibrational spectroscopy,vibrational frequency,four-fold hollow adsorption site,Cu},
  language     = {eng},
  pages        = {2},
  publisher    = {ARRAY(0xb719bd0)},
  series       = {7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science},
  title        = {Determination of the adsorption site of a polyatomic adsorbate using vibrational spectroscopy and ab initio calculations: methoxy on Cu(100)},
  year         = {2002},
}