Through an interplay between atomistic thermodynamics, isotherm models, and kinetics, all based upon density functional theory calculations, a mechanism was proposed for the removal of the (1 x 2) missing-row reconstruction on Au(110) under high CO pressure. Elevating the pressure from ultrahigh vacuum to one atmosphere causes the emergence of adsorption structures containing Au-CO entities. It was argued that the formation and the diffusion of these species could be the general phenomena which could control the morphology of metal surfaces under elevated CO pressure.

Surface Restructuring under Gas Pressure from First Principles - a Mechanism for CO-Induced Removal of the Au(110)-(1 x 2) Reconstruction. D.Loffreda, L.Piccolo, P.Sautet: Physical Review B, 2005, 71[11], 113414 (4pp)