Abstract:With the aim to elucidate the proton conduction mechanism in sodium tantalite with an orthorhombic perovskite structure, o‐NaTaO3, proton sites and elementary processes of proton jumps in the crystal were explored using first‐principles calculations. In this crystal, interoctahedral hopping plays a key role in the proton conduction, contrast to cubic perovskites where protons migrate over a long range only by rotation and intraoctahedral hopping. The interoctahedral hopping results from the tilting structure o… 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.