Computational Investigation of Copper Phosphides as Conversion Anodes for Lithium-Ion Batteries
Angela F. Harper, Matthew L. Evans, Andrew J. Morris
Abstract
P anodes could be more durable than other conversion anodes in the Cu-P system, with volume expansions greater than 150%. The structures and figures presented in this paper, and the code used to generate them, can be interactively explored online using Binder.
Topics & Concepts
Lithium (medication)AnodePhase (matter)Materials scienceCopperGravimetric analysisDensity functional theoryGibbs free energyAnalytical Chemistry (journal)IonChemistryCrystallographyThermodynamicsElectrodePhysical chemistryComputational chemistryMetallurgyEndocrinologyMedicinePhysicsOrganic chemistryChromatographyAdvancements in Battery MaterialsMachine Learning in Materials ScienceSurface and Thin Film Phenomena