Hopping transport in perylene diimide based organic solar cells: a DFT approach
Smiti Rani Bora, Dhruba Jyoti Kalita
Abstract
In this paper, a series of donor–π–acceptor (D–π–A) type oligomers were investigated for their structural and electronic properties through density functional theory (DFT) and time dependent-DFT (TD-DFT) calculations.
Topics & Concepts
DiimideChemistryPeryleneDensity functional theoryOrganic solar cellAcceptorComputational chemistryChemical physicsTime-dependent density functional theoryMoleculeCondensed matter physicsOrganic chemistryPolymerPhysicsOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications