Dicyanovinyl End-Capped 9,10-Bis (Phenylethynyl) Anthracenes for Organic Solar Cells

A series of 9,10-bis(phenylethynyl)anthracene dicyanovinyl end-capped derivatives have been used in bulk heterojunction (BHJ) photovoltaic cells prepared by the solution process. The compounds were excessively decorated with moieties enhancing solubility to avoid spontaneous crystallisations in the blends. The topology of the dyes is of the acceptor-donor-acceptor (A-D-A) type. The quantum chemical calculations were done at the B3LYP/6-31G(d) level of theory and HOMO-LUMO levels were calculated. The solar cells’ configuration was as follows: ITO/PEDOT:PSS/P3HT(P3OT)dyes/Al and parameters characterising them, open-circuit voltage (Voc), short-circuit current density (Jsc), fill factor (FF) and power conversion efficiency (PCE) are presented. Anthracene based A-D-A molecules showed photovoltaic activity with an average power conversion efficiencies (PCE) of 2.7%.