The local adsorption structure of SO2/Ni(111): The multiple-scattering cluster studies

Song Cao; Jing Chang Tang; Lei Wang; Ping Zhu

The local adsorption structure of SO₂/Ni(111): The multiple-scattering cluster studies

Song Cao, Jing Chang Tang, Lei Wang, Ping Zhu

Research output: Contribution to journal › Article › peer-review

Abstract

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 S0₂/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) nm, 〈OSO bond angle is reduced by 10° after adsorption, and the adsorption heihgt is (0.20 ± 0.02)nm.

Original language	English
Pages (from-to)	1761-1762
Number of pages	2
Journal	Wuli Xuebao/Acta Physica Sinica
Volume	50
Issue number	9
State	Published - Sep 2001

Keywords

Local adsorption structure
Multiple-scattering cluster method
Near-edge X-ray absorption fine structure
SO/Ni (111)

Cite this

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title = "The local adsorption structure of SO2/Ni(111): The multiple-scattering cluster studies",

abstract = "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 S02/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) nm, 〈OSO bond angle is reduced by 10° after adsorption, and the adsorption heihgt is (0.20 ± 0.02)nm.",

keywords = "Local adsorption structure, Multiple-scattering cluster method, Near-edge X-ray absorption fine structure, SO/Ni (111)",

author = "Song Cao and Tang, {Jing Chang} and Lei Wang and Ping Zhu",

year = "2001",

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journal = "Wuli Xuebao/Acta Physica Sinica",

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T1 - The local adsorption structure of SO2/Ni(111)

T2 - The multiple-scattering cluster studies

AU - Cao, Song

AU - Tang, Jing Chang

AU - Wang, Lei

AU - Zhu, Ping

PY - 2001/9

Y1 - 2001/9

N2 - 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 S02/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) nm, 〈OSO bond angle is reduced by 10° after adsorption, and the adsorption heihgt is (0.20 ± 0.02)nm.

AB - 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 S02/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) nm, 〈OSO bond angle is reduced by 10° after adsorption, and the adsorption heihgt is (0.20 ± 0.02)nm.

KW - Local adsorption structure

KW - Multiple-scattering cluster method

KW - Near-edge X-ray absorption fine structure

KW - SO/Ni (111)

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JO - Wuli Xuebao/Acta Physica Sinica

JF - Wuli Xuebao/Acta Physica Sinica

IS - 9

ER -

The local adsorption structure of SO₂/Ni(111): The multiple-scattering cluster studies

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Keywords

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