title: Hydrogen-induced atomic structure evolution of the oxygen-chemisorbed Cu(110) surface.
abstract: Using a combination of scanning tunneling microscopy (STM) and density functional theory (DFT) modeling, we determine the mechanism of the atomic structural evolution of the oxygenated Cu(110) surface induced by the reaction of adsorbed hydrogen with chemisorbed oxygen in the Cu(110)-c(6 × 2)-O structure. Our STM observations show that the reconstructed Cu(110)-c(6 × 2)-O surface undergoes a phase transition to the (2 × 1)-O reconstruction in the course of oxygen loss induced by the reaction with H2gas. Using DFT modeling, we find that the surface phase transition is initiated via the adsorption of molecular hydrogen on the chemisorbed oxygen, which results in the formation of H2O molecules that desorb spontaneously from the surface. The loss of chemisorbed oxygen induces the c(6 × 2) → (2 × 1) transition that involves the diffusion of Cu-O-Cu chains along the ⟨1¯10⟩ direction.
authors.affiliation: Department of Mechanical Engineering and Materials Science and Engineering Program, State University of New York, Binghamton, New York 13902, USA.
authors.forename: Weitao
authors.initials: W
authors.lastname: Shan
authors.affiliation: Department of Mechanical Engineering and Materials Science and Engineering Program, State University of New York, Binghamton, New York 13902, USA.
authors.forename: Qianqian
authors.initials: Q
authors.lastname: Liu
authors.affiliation: Department of Physics, Applied Physics and Astronomy and Materials Science and Engineering Program, State University of New York, Binghamton, New York 13902, USA.
authors.forename: Jonathan
authors.initials: J
authors.lastname: Li
authors.affiliation: Department of Mechanical Engineering and Materials Science and Engineering Program, State University of New York, Binghamton, New York 13902, USA.
authors.forename: Na
authors.initials: N
authors.lastname: Cai
authors.affiliation: Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, USA.
authors.forename: Wissam A
authors.initials: WA
authors.lastname: Saidi
authors.affiliation: Department of Mechanical Engineering and Materials Science and Engineering Program, State University of New York, Binghamton, New York 13902, USA.
authors.forename: Guangwen
authors.initials: G
authors.lastname: Zhou