Theoretical exploration of diverse electron-deficient core and terminal groups in A–DA′D–A type non-fullerene acceptors for organic solar cells
Yueyue Shao, Tian Lu, Minjie Li, Wencong Lu
Abstract
The influences triggered by the structurally diverse electron-withdrawing terminal group and fuse-ring electron-deficient core on the performance of NFAs OSCs are comprehensively investigated by using DFT, TD-DFT and Marcus charge transfer theory.
Topics & Concepts
ChemistryOrganic solar cellRing (chemistry)Terminal (telecommunication)Core (optical fiber)ElectronFullereneCharge (physics)Electron transferStereochemistryChemical physicsPhotochemistryOrganic chemistryQuantum mechanicsComputer networkPhysicsComputer scienceOpticsPolymerOrganic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures