We investigated the overpotential of the oxygen evolution reaction for the FePt catalyst by using a density functional theory calculation. We conducted the calculation for two types of FePt catalysts: FePt with an ordered L10 crystal structure and FePt with atoms randomly distributed at the face-centered-cubic (FCC) crystal sites. First, we investigated the surface energy of the L10 FePt surface and concluded that the reacting surface was a (111) surface because of its low surface energy. Next, we calculated the free energy of the oxygen evolution reaction (OER) steps and obtained the theoretical overpotentials for the two types of FePt catalysts. The overpotentials for the ordered L10 and the disordered FCC FePt catalysts were found to be 2.26 V and 2.17 V, respectively. The disordered FCC FePt is expected to have a higher catalyst activity than the ordered L10 FePt.
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.