Tailoring Ti3C2 MXene into Ti3C2Tx, Tx = NO and alloying with M = Al, Ga, In, Tl into MTi3C2NO as electrode materials for super-capacitor devices: Perspective from first-principles density functional theory
Providence B. Ashishie, Hitler Louis, Offiong E. Offiong, Adedapo Adeyinka S
Topics & Concepts
MXenesDensity functional theoryMaterials scienceFermi levelElectronic structureAntiferromagnetismCondensed matter physicsHybrid functionalElectronic band structureAtomic orbitalNanotechnologyComputational chemistryChemistryPhysicsElectronQuantum mechanicsMXene and MAX Phase Materials2D Materials and ApplicationsAluminum Alloys Composites Properties