Surface Science
| Autor: | Reis, D. D. dos, Negreiros, F. R., Carvalho, V. E. de, Soares, E. A., Castilho, Caio Mário Castro de |
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| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: | |
| Zdroj: | Repositório Institucional da UFBA Universidade Federal da Bahia (UFBA) instacron:UFBA |
| DOI: | 10.1016/j.susc.2012.11.010 |
| Popis: | Texto completo. Acesso restrito. p. 100–105 Submitted by Santiago Fabio (fabio.ssantiago@hotmail.com) on 2013-06-27T18:02:15Z No. of bitstreams: 1 11111.pdf: 733467 bytes, checksum: f8354f1796f0e4b4d3f70d73d2d7f125 (MD5) Rejected by Alda Lima da Silva(sivalda@ufba.br), reason: Material de Física on 2013-08-16T19:14:04Z (GMT) Submitted by Santiago Fabio (fabio.ssantiago@hotmail.com) on 2013-08-19T16:51:54Z No. of bitstreams: 1 11111.pdf: 733467 bytes, checksum: f8354f1796f0e4b4d3f70d73d2d7f125 (MD5) Rejected by Alda Lima da Silva(sivalda@ufba.br), reason: Unidade fora da demanda on 2013-08-23T22:08:24Z (GMT) Submitted by Santiago Fabio (fabio.ssantiago@hotmail.com) on 2013-08-26T12:35:35Z No. of bitstreams: 1 11111.pdf: 733467 bytes, checksum: f8354f1796f0e4b4d3f70d73d2d7f125 (MD5) Approved for entry into archive by Rodrigo Meirelles(rodrigomei@ufba.br) on 2013-10-15T15:14:36Z (GMT) No. of bitstreams: 1 11111.pdf: 733467 bytes, checksum: f8354f1796f0e4b4d3f70d73d2d7f125 (MD5) Made available in DSpace on 2013-10-15T15:14:36Z (GMT). No. of bitstreams: 1 11111.pdf: 733467 bytes, checksum: f8354f1796f0e4b4d3f70d73d2d7f125 (MD5) Previous issue date: 2013 In this paper we present a combined low-energy electron diffraction (LEED) and a DFT study of the Au(110)c(2 × 2)–Sb surface in order to determine its atomic structure. The DFT calculations, using both LDA and GGA approaches, have indicated that the adsorption of antimony atoms on the Au(110) surface hollow sites is energetically more favored as compared with other possible adsorption sites. The LEED analysis also showed a Sb-overlayer termination with the Sb atoms segregating to the hollow sites instead of forming an Au–Sb surface alloy. This overlayer results to be contracted of about 0.16 Å with the first gold layer presenting a small expansion (0.04 Å) with respect to the Au bulk interlayers distance. The agreement between the LEED and DFT results is very good Salvador |
| Databáze: | OpenAIRE |
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