Abstract:In order to study the interaction between γ-Fe and carbon, the geometry structures, surface relaxations, adsorption energies and electronic structures for carbon chemisorption at four different adsorption sites on γ-Fe(111) surface at a monolayer coverage of 1 were studied using density functional theory. The electronic structures were compared with the chemisorption of carbon on nickel (111) at the fcc hollow site. Based on the computational adsorption energies, the relative stabilities were described as foll… Show more
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.