Reconstruction of steps on the Cu(111) surface induced by sulfur

Holly Walen; Da-Jiang Liu; Junepyo Oh; Hyunseob Lim; J W Evans; Yousoo Kim; P A Thiel

doi:10.1063/1.4921258

Reconstruction of steps on the Cu(111) surface induced by sulfur

J Chem Phys. 2015 May 21;142(19):194711. doi: 10.1063/1.4921258.

Authors

Holly Walen¹, Da-Jiang Liu², Junepyo Oh³, Hyunseob Lim³, J W Evans², Yousoo Kim³, P A Thiel¹

Affiliations

¹ Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
² Ames Laboratory of the USDOE, Ames, Iowa 50011, USA.
³ RIKEN Surface and Interface Science Laboratory, Wako, Saitama 351-0198, Japan.

PMID: 26001477
DOI: 10.1063/1.4921258

Abstract

A rich menagerie of structures is identified at 5 K following adsorption of low coverages (≤0.05 monolayers) of S on Cu(111) at room temperature. This paper emphasizes the reconstructions at the steps. The A-type close-packed step has 1 row of S atoms along its lower edge, where S atoms occupy alternating pseudo-fourfold-hollow (p4fh) sites. Additionally, there are 2 rows of S atoms of equal density on the upper edge, bridging a row of extra Cu atoms, together creating an extended chain. The B-type close-packed step exhibits an even more complex reconstruction, in which triangle-shaped groups of Cu atoms shift out of their original sites and form a base for S adsorption at (mostly) 4fh sites. We propose a mechanism by which these triangles could generate Cu-S complexes and short chains like those observed on the terraces.