High electron mobility due to extra π-conjugation in the end-capped units of non-fullerene acceptor molecules: a DFT/TD-DFT-based prediction
Malik Muhammad Asif Iqbal, Muhammad Yasir Mehboob, Talha Hassan, Muhammad Shahzeb Khan, Muhammad Arshad
Topics & Concepts
FullereneAcceptorOrganic solar cellMoleculeOpen-circuit voltageExcited stateExcitonBand gapExcitationDensity functional theoryMaterials scienceShort circuitChemistryChemical physicsOptoelectronicsAtomic physicsComputational chemistryVoltagePolymerPhysicsQuantum mechanicsCondensed matter physicsOrganic chemistryComposite materialOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications