Optoelectronic design and charge transport properties of Benzodifuran (BDF) isomers for organic electronic devices: DFT/TD-DFT insights
Vipin Kumar, Simplice Koudjina, Pankaj Verma, Prabhakar Chetti
Topics & Concepts
ChemistryDensity functional theoryHOMO/LUMOIonization energyElectron affinity (data page)Charge (physics)IonizationElectronElectronic structureComputational chemistryMoleculeOrganic chemistryPhysicsQuantum mechanicsIonOrganic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchConducting polymers and applications