Interstitial versus substitutional metal insertion in V2O5 as post-lithium ion battery cathode: a comparative GGA/GGA + U study with localized bases
Daniel Koch, Sergei Manzhos
Topics & Concepts
VanadiumMaterials sciencePentoxideLithium (medication)Basis setTransition metalScalingMetalPseudopotentialVanadium oxideElectronic structurePlane waveIonDopingDensity functional theoryCondensed matter physicsComputational chemistryChemistryPhysicsMetallurgyOptoelectronicsQuantum mechanicsEndocrinologyMedicineCatalysisMathematicsBiochemistryGeometryTransition Metal Oxide NanomaterialsAdvancements in Battery MaterialsAdvanced battery technologies research