title: Chlorine adsorption on Au(111): chlorine overlayer or surface chloride?
abstract: We report the first scanning tunneling microscope (STM) investigation, combined with density functional theory calculations, to resolve controversy regarding the bonding and structure of chlorine adsorbed on Au(111). STM experiments are carried out at 120 K to overcome instability caused by mobile species upon chlorine adsorption at room temperature. Chlorine adsorption initially lifts the herringbone reconstruction. At low coverages (<0.33 ML), chlorine binds to the top of Au(111)-(1 x 1) surface and leads to formation of an overlayer with (square root(3) x square root(3))R30 degree structure at 0.33 ML. At higher coverages, packing chlorine into an overlayer structure is no longer favored. Gold atoms incorporate into a complex superlattice of a Au-Cl surface compound.
authors.affiliation: Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, USA.
authors.forename: Weiwei
authors.initials: W
authors.lastname: Gao
authors.forename: Thomas A
authors.initials: TA
authors.lastname: Baker
authors.forename: Ling
authors.initials: L
authors.lastname: Zhou
authors.forename: Dilini S
authors.initials: DS
authors.lastname: Pinnaduwage
authors.forename: Efthimios
authors.initials: E
authors.lastname: Kaxiras
authors.forename: Cynthia M
authors.initials: CM
authors.lastname: Friend
mesh_terms: D000327:Adsorption; D002713:Chlorine / Q000737:chemistry*; D006046:Gold / Q000737:chemistry*; D016252:Microscopy, Scanning Tunneling / Q000379:methods; D008956:Models, Chemical; D010316:Particle Size; D013053:Spectrophotometry; D013499:Surface Properties; D014965:X-Rays
chemical_list: D002713:Chlorine; D006046:Gold