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A series of twelve Acceptor-π-Donor-π-Acceptor (A-π-D-π-A) topology-based donor molecules, where diketopyrrolopyrrole (DPP) as donor core unit is connected through furan which acts as conjugated π-bridge (C to aromatic derivatives (Ar) as acceptor units, have been investigated by making substitutions in acceptor units by using density functional theory(DFT) and time-dependent density functional theory (TD-DFT) for organic solar cell applications. The comparative study of optoelectronic properties indicates that thiadiazole with pyridine