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Titolo:
The local adsorption structure of SO2/Ni(111): The multiple-scattering cluster studies
Autore:
Cao, S; Tang, JC; Wang, L; Zhu, P;
Indirizzi:
Zhejiang Univ, Dept Phys, Hangzhou 310027, Peoples R China Zhejiang Univ Hangzhou Peoples R China 310027 ou 310027, Peoples R China Zhejiang Univ, State Key Lab Silicon Mat Sci, Hangzhou 310027, Peoples R China Zhejiang Univ Hangzhou Peoples R China 310027 ou 310027, Peoples R China
Titolo Testata:
ACTA PHYSICA SINICA
fascicolo: 9, volume: 50, anno: 2001,
pagine: 1756 - 1762
SICI:
1000-3290(200109)50:9<1756:TLASOS>2.0.ZU;2-2
Fonte:
ISI
Lingua:
CHI
Soggetto:
ABSORPTION FINE-STRUCTURE; STRUCTURE SPECTROSCOPY; K-EDGE; SO2; SURFACE; CU(100); NI(111);
Keywords:
local adsorption structure; near-edge X-ray absorption fine structure; SO2/Ni (111); multiple scattering cluster method;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
13
Recensione:
Indirizzi per estratti:
Indirizzo: Cao, S Zhejiang Univ, Dept Phys, Hangzhou 310027, Peoples R China ZhejiangUniv Hangzhou Peoples R China 310027 27, Peoples R China
Citazione:
S. Cao et al., "The local adsorption structure of SO2/Ni(111): The multiple-scattering cluster studies", ACT PHY C E, 50(9), 2001, pp. 1756-1762

Abstract

The multiple-scattering cluster (MSC) method has been used to calculate the sulphur ls near edge X-ray absorption fine structure of SO2 adsorbed on the Ni(111) The local adsorption structure Of SO2/Ni(111) was determined by a direct comparison between MSC calculation and the experimental NEXAFS spectra. This study confirms the flat-lying structure and shows that the fee three-fold hollow site is the most preferable adsorption site. It has been shown that the O-S intramolecular bond length is elongated by (0.007 +/- 0.002) mn,< OSO bond angle is reduced by 10 degrees after adsorption, and the adsorption heihgt is (0.20 +/- 0.02) nm.

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Documento generato il 09/07/20 alle ore 18:09:19