End-capped engineering of truxene core based acceptor materials for high performance organic solar cells: theoretical understanding and prediction
Fatiqa Zafar, Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Usman Khan, Amjad Hussain, Talha Hassan, Muhammad A. Rashid, Mahrzadi Noreen Shahi
Topics & Concepts
MoietyHOMO/LUMOOrganic solar cellMaterials scienceAcceptorMoleculeBasis setDensity functional theoryThiopheneBand gapMolecular engineeringElectron acceptorMolecular orbitalMarcus theoryPhotochemistryComputational chemistryNanotechnologyChemistryOptoelectronicsStereochemistryPolymerOrganic chemistryPhysicsCondensed matter physicsComposite materialKineticsQuantum mechanicsReaction rate constantOrganic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures