DFT and TD-DFT studies of new triphenylamine-based (D–A–D) donor materials for high-efficiency organic solar cells
Numbury Surendra Babu
Abstract
The DFT approach of Becke's three-parameter compound (B3LYP) was employed in all studies of triphenylamine (TPA) molecules as a donor (D) for solar cell applications in this work.
Topics & Concepts
TriphenylamineOrganic solar cellDensity functional theoryMaterials scienceMoleculeSolar cellComputational chemistryPhotochemistryCombinatorial chemistryChemistryOptoelectronicsOrganic chemistryPolymerOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications