Sulphur adsorption on Au{1 1 0}: DFT and LEED study

The adsorption of sulphur on clean reconstructed Au{1 1 0}-(1 × 2) surface was studied using density functional theory (DFT) and quantitative low energy electron diffraction (LEED) calculations. The results show that the sulphur atoms form a (4 × 2) ordered structure which preserves the missing row...

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Veröffentlicht in:	Surface science 2010-05, Vol.604 (9), p.797-803
Hauptverfasser:	Lahti, M., Pussi, K., Alatalo, M., Krasnikov, S.A., Cafolla, A.A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Borders Cleaning Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Density functional theory DFT Exact sciences and technology Gold LEED Low energy electron diffraction Physics Sulfur Sulphur Surface chemistry Surface structure
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Beschreibung
Zusammenfassung:	The adsorption of sulphur on clean reconstructed Au{1 1 0}-(1 × 2) surface was studied using density functional theory (DFT) and quantitative low energy electron diffraction (LEED) calculations. The results show that the sulphur atoms form a (4 × 2) ordered structure which preserves the missing row reconstruction of the clean surface. The sulphur atom is found to adsorb on threefold hollow sites, on the {1 1 1} microfacets that border the trenches of the missing rows.
ISSN:	0039-6028 1879-2758
DOI:	10.1016/j.susc.2010.02.002