Structure determination of molecular adsorbates on oxide surfaces using scanned-energy mode photoelectron diffraction

Authors
Polcik, M Lindsay, R Baumgartel, P Terborg, R Schaff, O Kulkarni, S Bradshaw, AM Toomes, RL Woodruff, DP
Citation
M. Polcik et al., Structure determination of molecular adsorbates on oxide surfaces using scanned-energy mode photoelectron diffraction, FARADAY DIS, (114), 1999, pp. 141-155
Citations number
34
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
Faraday discussions
ISSN journal
13596640 → ACNP
Issue
114
Year of publication
1999
Pages
141 - 155
Database
ISI
SICI code
1359-6640(1999):114<141:SDOMAO>2.0.ZU;2-H
Abstract
Using N 1s scanned-energy mode photoelectron diffraction (PhD) combined wit h full multiple scattering simulations the local adsorption site of NO on N iO(100) has been determined. The molecule bonds through the N atom atop a s urface layer N atom, while the N-O axis is tilted away from the surface nor mal by 59(+31/-17)degrees. The special problems presented by adsorbates on compound surfaces, for the direct inversion of PhD data to provide a first- order site determination, are discussed and some alternative schemes tested .