Show simple item record

dc.creatorWang, Lichangen_US
dc.creatorSong, Chunrongen_US
dc.creatorGe, Qingfengen_US
dc.date.accessioned2008-01-12T13:07:51Z
dc.date.available2008-01-12T13:07:51Z
dc.date.issued2006en_US
dc.identifier2006-MG-07en_US
dc.identifier.urihttp://hdl.handle.net/1811/30882
dc.descriptionAuthor Institution: Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901en_US
dc.description.abstractThe CO virbational frequency shifts upon its adsorption on bimetallic Pt/Au clusters were studied using density functional theory (DFT) calculations. The CO molecule was adsorbed at different sites of a bimetalic Pt/Au cluster to determine the favorable adsorption site. Various Pt compositions of Pt/Au clusters were used to study the CO adsorption process. The DFT calculations have shown that the CO vibrational frequency was shifted from 2134 cm$^{-1}$ of an isolated molecule to the range of 2000-2100 cm$^{-1}$ after the adsorption to a Pt/Au cluster. In general, the redshift is larger when a CO molecule is adsorbed to a Pt atom in the cluster. Furthermore, the DFT results are supported by the new FTIR experimental measurement (C. J. Zhong, et al, private communication). Detailed comparison between the DFT results and the experimental date will be presented and discussed.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleCOMPOSITION EFFECT OF BIMETALLIC PT/AU NANOPARTICLES ON THE ADSORBED CO VIBRATION FREQUENCYen_US
dc.typearticleen_US


Files in this item

Thumbnail
Thumbnail

Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record