Abstract:We proposed a Voronoi finite element method to determine the possible intermediate phases of cathode materials of Li-ion batteries. Lithium-vacancy arrangements can be accurately predicted based on Voronoi polyhedra centered on lithium ions. Using this method, we can reproduce the well-known lithium removal processes of LiCoO2 and Li1.2Mn0.54Ni0.13Co0.13O2. Moreover, this method can effectively reduce the number of arrangements that need to be calculated. Our work provides a reasonable and efficient way to inv… Show more
Set email alert for when this publication receives citations?
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.