Hydrogen-induced restructuring of close-packed metal surfaces: H/Ni(111) and H/Fe(110)

Abstract

We report that hydrogen can induce surface reconstructions by adsorption even on close-packed substrates. New low-energy electron-diffraction analyses for H/Ni(111) and H/Fe(110) show that consideration of reconstruction is essential for a convincing experiment-theory fit as well as for reliable determination of the adsorption site. There are two different types of reconstruction: Hydrogen pulls nickel atoms out of the surface but pushes iron atoms towards the bulk. These findings are mirrored by a different sign of work-function change for both systems and demonstrate the correlation between geometric and electronic structure.