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Applications of the Vienna Ab initio simulation package, DFT and molecular interaction studies for investigating the electrochemical stability and solvation performance of non-aqueous NaMF6 electrolytes for sodium-ion batteries

Attar Kubaib, Predhanekar Mohamed Imran, A. Aathif Basha

2022Computational and Theoretical Chemistry47 citationsDOI

Topics & Concepts

ChemistrySolvationElectrolyteElectrochemistryElectronegativityAb initioElectrochemical potentialComputational chemistryMoleculeMolecular orbitalAqueous solutionPhysical chemistryInorganic chemistryChemical physicsOrganic chemistryElectrodeAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesInorganic Chemistry and Materials
Applications of the Vienna Ab initio simulation package, DFT and molecular interaction studies for investigating the electrochemical stability and solvation performance of non-aqueous NaMF6 electrolytes for sodium-ion batteries | Litcius