Rational design of non-fullerene acceptors <i>via</i> side-chain and terminal group engineering: a computational study
Rudranarayan Khatua, Bibhas Das, Anirban Mondal
Abstract
turned out to be potential candidates for future applications. These criteria can be generalized to design and screen next-generation non-fullerene acceptors to achieve improved OSC performance.
Topics & Concepts
Organic solar cellAcceptorDensity functional theoryFullereneChemistryBand gapElectron affinity (data page)ElectronegativitySolar cellComputational chemistryHOMO/LUMOElectron acceptorMaterials scienceMoleculeChemical physicsPhotochemistryOptoelectronicsOrganic chemistryPhysicsCondensed matter physicsPolymerOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications