Journal of Materials Chemistry A · 2019 · 194 citations · 50 references
Natural SciencesChemistryPhysicsComputational ChemistryCondensed Matter PhysicsInorganic ChemistryAb Initio MethodsIon ExchangeIon-conducting MaterialsIonic ConductivityTransition Metal ChemistryWater TransportFast Ion TransportIon Diffusion MechanismsIon Transport In NanostructuresIon Transport MechanismsIon-water Interactions
Structural water in bilayer V<sub>2</sub>O<sub>5</sub>·<italic>n</italic>H<sub>2</sub>O could affect the Zn ions intercalation and rebuild a smooth electrostatic environment between V<sub>2</sub>O<sub>5</sub> sheets for fast Zn ions diffusion.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17