THE LOCAL ADSORPTION STRUCTURE OF SO2/Ni(111):THEMULTIPLE-SCATTERING CLUSTER STUDIES | Zendy

Cao Song | Zendy; TANG JING-CHANG | Zendy; Lei Wang | Zendy; Ping Zhu | Zendy

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THE LOCAL ADSORPTION STRUCTURE OF SO2/Ni(111):THEMULTIPLE-SCATTERING CLUSTER STUDIES

Author(s) -

Cao Song,

TANG JING-CHANG,

Lei Wang,

Ping Zhu

Publication year - 2001

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.50.1756

Subject(s) - adsorption , xanes , bond length , cluster (spacecraft) , materials science , intramolecular force , extended x ray absorption fine structure , scattering , x ray absorption fine structure , absorption (acoustics) , local structure , small angle x ray scattering , molecular physics , crystallography , spectral line , absorption spectroscopy , atomic physics , analytical chemistry (journal) , chemistry , crystal structure , spectroscopy , optics , physics , stereochemistry , organic chemistry , quantum mechanics , astronomy , computer science , programming language , composite material

The multiple-scattering cluster (MSC) method has been used to calculate the sulphur 1s 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 fcc 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)nm,∠OSO bond angle is reduced by 10° after adsorption,and the adsorption heihgt is (0.20±0.02)nm.

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