Proceedings of International Conference Asia-Pacific Hybrid and Organic Photovoltaics (AP-HOPV17)
Publication date: 7th November 2016
Donor-acceptor (D-A) copolymer has been proved to be excellent candidates for efficient polymer solar cells (PSCs). An easy and powerful strategy of D-A copolymer design to enhance performance of PSCs would advance their industrialization. Here we demonstrate effective the molecular design way using the simple and easy molecular mechanic function of Molecular Mechanic2 (MM2) & Merck Molecular Force Field94 (MMFF94) calculation and non-covalent conformational locking effects in D-A copolymer backbone. It is shown to play an important role in D-A copolymer with highly ordered structure through intra- and/or intermolecular interactions with hydrogen bonding. We report a newly designed D-A copolymer as a donor using our strategy, poly(benzodithiophene-diphenylphenazine), P(BDP-DTPz) which exhibits good processability, highly molecular ordering and excellent charge carrier mobility balance. A maximum power conversion efficiency (PCE) of 6.2 % is achieved with P(BDP-DTPz):PC71BM blend under 1.5G solar irradiation. This work will provide a new perspective and guidline for molecular design of D-A copolymers in PSCs.