2013
DOI: 10.1103/physrevb.87.235422
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Structure and local reactivity of the Au(111) surface reconstruction

Abstract: The close-packed (111) surface of gold is well known to show a 22 × √ 3 reconstruction on single nm lengths with a long-range herringbone pattern on scales of a few hundred nm. Here we investigate the local reconstruction using density functional theory and compare the results to scanning tunneling microscopy experiments. Moreover, we use hydrogen and fluorine as probe atoms to investigate changes in the ability of the Au(111) surface to catalyze the reactions involved in the formation of molecular nanostructu… Show more

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Cited by 138 publications
(167 citation statements)
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“…Therefore, the appearance of chains may already be seen as a first step towards lifting the herringbone reconstruction. Nevertheless, we can refer to analogy with results of theoretical works on electronegative adsorbates (fluorine, sulfur) on the Au(111)-(22 × √ 3) surface [22,23]. According to DFT calculations, the minimum of adsorption energy for fluorine [22] and sulfur [23] corresponds to the position in the center of fcc domain.…”
Section: Resultsmentioning
confidence: 99%
“…Therefore, the appearance of chains may already be seen as a first step towards lifting the herringbone reconstruction. Nevertheless, we can refer to analogy with results of theoretical works on electronegative adsorbates (fluorine, sulfur) on the Au(111)-(22 × √ 3) surface [22,23]. According to DFT calculations, the minimum of adsorption energy for fluorine [22] and sulfur [23] corresponds to the position in the center of fcc domain.…”
Section: Resultsmentioning
confidence: 99%
“…92 However, Figure 7b shows instead that the area of α domains is 20% larger than that of the β domains. This can be ascribed to the fact that α-phase domains appear to be more easily able to extend over the soliton walls and occupy fcc regions of the surface.…”
mentioning
confidence: 88%
“…The profile lines crossing the herringbone structure shows a surface corrugation corresponding to the crossing from fcc to hcp. Each herringbone structure is ending at a 0.2 nm mono atomic step height with the herringbone structure continuously extending on the neighbor lower terrace [28].…”
Section: Atomic Resolutionmentioning
confidence: 99%