DFT molecular modeling of A2-D-A1-D-A2 type DF-PCIC based small molecules acceptors for organic photovoltaic cells
Saliha Sabir, N. M. A. Hadia, Javed Iqbal, Rana Farhat Mehmood, Sahar Javaid Akram, Muhammad Imran Khan, Ahmed M. Shawky, Muhmmad Raheel, H.H. Somaily, Rasheed Ahmad Khera
Topics & Concepts
Density functional theoryDipoleExcited stateBand gapOrganic solar cellPhotovoltaic systemTransition dipole momentMoleculeChromophoreBinding energyChemistryEnergy conversion efficiencyMaterials scienceMolecular physicsComputational chemistryAtomic physicsPhotochemistryOptoelectronicsPhysicsOrganic chemistryBiologyEcologyOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications