Please use this identifier to cite or link to this item:
https://dspace.ffh.bg.ac.rs/handle/123456789/126| Title: | First principles study of adsorption of metals on Pt(1 1 1) surface | Authors: | Pašti, Igor Mentus, Slavko |
Keywords: | Atomic scale structure;Computer simulations;Electrode materials;Electronic properties;Surfaces and interfaces | Issue Date: | 14-May-2010 | Journal: | Journal of Alloys and Compounds | Abstract: | The adsorption of d-metals (Pd, Pt, Cu, Au) and p-metals (Sn, Pb, Bi) on the Pt(1 1 1) surface was studied by means of DFT calculations. The fcc adsorption sites were found to be preferential ones. The adsorption trends were determined on the basis of strength of substrate-adsorbate and adsorbate-adsorbate interactions. The course of work function with the change in coverage by adsorbed metal differs for d- and p-metals. The modification of electronic structure of Pt(1 1 1) surface atoms caused by adsorption was analyzed by means of difference in projected d-density of states. The differences between adsorption and surface alloying, leading finally to the same adsorbed monolayer/substrate system, were discussed. © 2010 Elsevier B.V. All rights reserved. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/126 | ISSN: | 0925-8388 | DOI: | 10.1016/j.jallcom.2010.03.046 |
| Appears in Collections: | Journal Article |
Show full item record
SCOPUSTM
Citations
20
checked on Oct 29, 2025
Page view(s)
33
checked on Nov 3, 2025
Google ScholarTM
Check
Altmetric
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.