Linked Life Data

21399343

Source:http://linkedlifedata.com/resource/pubmed/id/21399343

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
30
pubmed:dateCreated
2011-3-14
pubmed:abstractText
Diffraction intensities of a molecular He beam scattered off the clean and water-covered ZnO(1010) surface have been simulated using a new potential model in conjunction with the close-coupling formalism. The effective corrugation functions for the systems He-H2O/ZnO(1010) and He-H2O/ZnO(1010) have been obtained from density functional theory calculations within the Esbjerg-Nørskov approximation. Using these data a potential model is constructed consisting of a corrugated Morse potential at small He-surface distances and a semiempiric attractive part at larger distances. The diffraction patterns obtained from close-coupling calculations agree with the experimental data within about 10%, which opens the possibility to simulate He diffraction from surfaces of any structural complexity and to verify surface and adsorbate structures proposed theoretically by employing this kind of analysis.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Aug
pubmed:issn
1361-648X
pubmed:author
pubmed:issnType
Electronic
pubmed:day
4
pubmed:volume
22
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
304011
pubmed:year
2010
pubmed:articleTitle
He atom scattering from ZnO surfaces: calculation of diffraction peak intensities using the close-coupling approach.
pubmed:affiliation
Department of Chemistry, Imperial College London, South Kensington, London, UK. r.martinezcasado@imperial.ac.uk
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't