Exploring the Impact of Heavy Atom Substitutions (Se, Te) on the CB16-Based Non- Fullerene Acceptor for High-Performance Organic Solar Cells: DFT and TD-DFT Study
Walid Taouali, K. Alimi
Topics & Concepts
ChemistryDensity functional theoryHOMO/LUMOOrganic solar cellExcited stateIntramolecular forceFullereneHeteroatomTime-dependent density functional theoryMolecular orbitalAcceptorAtom (system on chip)Oscillator strengthAbsorption (acoustics)Computational chemistryPhotochemistryChemical physicsAtomic physicsMoleculeRing (chemistry)StereochemistryMaterials scienceOrganic chemistryAstronomySpectral linePhysicsComposite materialCondensed matter physicsComputer sciencePolymerEmbedded systemOrganic Electronics and PhotovoltaicsFullerene Chemistry and ApplicationsChalcogenide Semiconductor Thin Films