A DFT-based design of B/N/P-co-doped oxo-triarylmethyl as a robust anode material for magnesium-ion batteries
Sadegh Kaviani, Irina Piyanzina, Oleg V. Nedopekin, D. A. Tayurskiı̆, Rezvan Rahimi
Topics & Concepts
AnodeDensity functional theoryMaterials scienceIonOpen-circuit voltageHeteroatomDiffusionHOMO/LUMODopingChemical engineeringAnalytical Chemistry (journal)ChemistryVoltagePhysical chemistryComputational chemistryElectrodeThermodynamicsMoleculeOrganic chemistryRing (chemistry)OptoelectronicsElectrical engineeringPhysicsEngineeringAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesSupercapacitor Materials and Fabrication