DFT exploration: Optical and conduction band switching in indaceno donor moiety and its TiO2 adsorbed complexes for an efficient ON-OFF ratio
Abrar U. Hassan, Sajjad Hussain Sumrra, Yuchuan Li, Ayesha Mohyuddin, Sadaf Noreen, Saima Noreen, Nyiang Kennet Nkungli
Topics & Concepts
MoietyDensity functional theoryOpen-circuit voltageConduction bandSolventMaterials scienceBand gapAdsorptionPhotovoltaic systemAbsorption (acoustics)VoltageOptoelectronicsNanotechnologyChemistryComputational chemistryPhysical chemistryStereochemistryOrganic chemistryElectrical engineeringPhysicsEngineeringElectronQuantum mechanicsComposite materialPerovskite Materials and ApplicationsOrganic and Molecular Conductors ResearchMolecular Junctions and Nanostructures