Phase transformation, charge transfer, and ionic diffusion of Na<sub>4</sub>MnV(PO<sub>4</sub>)<sub>3</sub> in sodium-ion batteries: a combined first-principles and experimental study
Xinying Gao, Ruqian Lian, He Li, Qiang Fu, Sylvio Indris, Björn Schwarz, Xudong Wang, Gang Chen, Helmut Ehrenberg, Yingjin Wei
Abstract
The structural transformation, charge transfer and ionic diffusion properties of Na<sub>4</sub>MnV(PO<sub>4</sub>)<sub>3</sub> were studied by first-principles and experimental studies. Two independent Na sites, Na(1) and Na(2), were found, but only Na(2) can be extracted between 2.5 and 3.8 V.
Topics & Concepts
DiffusionIonic bondingCharge (physics)IonAnalytical Chemistry (journal)SodiumPhase (matter)Transformation (genetics)Materials scienceChemistryIonic potentialThermodynamicsPhysicsChromatographyMetallurgyOrganic chemistryQuantum mechanicsGeneBiochemistryAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesTransition Metal Oxide Nanomaterials