Please use this identifier to cite or link to this item:
https://dspace.ffh.bg.ac.rs/handle/123456789/134| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Pašti, Igor | en_US |
| dc.contributor.author | Mentus, Slavko | en_US |
| dc.date.accessioned | 2022-12-12T18:10:47Z | - |
| dc.date.available | 2022-12-12T18:10:47Z | - |
| dc.date.issued | 2009-08-07 | - |
| dc.identifier.issn | 1463-9076 | en |
| dc.identifier.uri | https://dspace.ffh.bg.ac.rs/handle/123456789/134 | - |
| dc.description.abstract | Analysis of the electronic properties of Pt(x)Bi(1-x)/Pt(111) bimetallic overlayers was performed by DFT calculation. The positions of the d-band centers and band widths were correlated using a triangular band model. In addition, the adsorption of hydrogen atoms as well as CO tolerance of selected Pt(x)Bi(1-x)/Pt(111) bimetallic overlayers were analysed. Excellent correlation was obtained of the adsorption energies of H and CO with d-band centers of platinum atoms on the studied surfaces. The red shift of Pt-H stretching vibration of adsorbed hydrogen, and decrease of work function upon adsorption of H were predicted. Analysis of hydrogen and CO chemisorption by means of the difference of the projected density of states was performed in order to identify d-states involved in bonding. The results obtained by calculations were compared with the experimental ones, where available. | en |
| dc.language.iso | en | en |
| dc.relation.ispartof | Physical chemistry chemical physics : PCCP | en |
| dc.title | DFT study of adsorption of hydrogen and carbon monoxide on PtxBi1-x/Pt(111) bimetallic overlayers: correlation to surface electronic properties | en_US |
| dc.type | Journal Article | en_US |
| dc.identifier.doi | 10.1039/b823385c | - |
| dc.identifier.pmid | 19606333 | - |
| dc.identifier.scopus | 2-s2.0-77951025266 | - |
| dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/77951025266 | - |
| dc.relation.firstpage | 6225 | en |
| dc.relation.lastpage | 6233 | en |
| item.fulltext | No Fulltext | - |
| item.openairetype | Journal Article | - |
| item.languageiso639-1 | en | - |
| item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
| item.cerifentitytype | Publications | - |
| item.grantfulltext | none | - |
| crisitem.author.orcid | 0000-0002-1000-9784 | - |
| crisitem.author.orcid | 0000-0001-8155-8003 | - |
| Appears in Collections: | Journal Article | |
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