First-principle study of electronic properties and quantum capacitance of lithium adsorption on pristine and vacancy-defected O-functionalized Ti2C MXene
Xiao‐Hong Li, Shanshan Li, Xing‐Hao Cui, Rui-Zhou Zhang, Hong‐Ling Cui
Topics & Concepts
MonolayerAdsorptionVacancy defectAtom (system on chip)Density functional theoryMaterials scienceFermi levelBand gapLithium (medication)Transition metalChemistryChemical physicsPhysical chemistryComputational chemistryCrystallographyNanotechnologyElectronOrganic chemistryPhysicsEndocrinologyOptoelectronicsCatalysisEmbedded systemComputer scienceQuantum mechanicsMedicineMXene and MAX Phase MaterialsAdvancements in Battery MaterialsGraphene research and applications