Density functional theory study of donor–acceptor conjugated polymers with substituent effect
Ho‐Chun Huang, Yu‐Che Lin, Chung‐Hao Chen, Kung‐Hwa Wei, Yu‐Wei Su, Po‐Tuan Chen
Topics & Concepts
HOMO/LUMODensity functional theoryMaterials scienceSubstituentAcceptorIntramolecular forceBand gapConjugated systemPolymerElectron affinity (data page)Organic solar cellMolecular orbitalComputational chemistryPhotochemistryChemical physicsMoleculeChemistryOrganic chemistryOptoelectronicsPhysicsCondensed matter physicsComposite materialOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications