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Theoretical design of new small molecules with a low band-gap for organic solar cell applications: DFT and TD-DFT study

Organic Charge-transfer CompoundEngineeringNew Small MoleculesOrganic ElectronicsNatural SciencesOrganic Solar CellApplied PhysicsOrganic SemiconductorMolecule-based MaterialTheoretical DesignPhysical ChemistryLow Band-gapQuantum ChemistryChemistrySolar Cells