Solution-Processable, Solid State Donor-Acceptor Materials for Singlet Fission
Saghar Masoomi-Godarzi, Maning Liu, Yasuhiro Tachibana, Lars Goerigk, Kenneth P Ghiggino, Trevor A Smith, David J Jones
ADVANCED ENERGY MATERIALS | WILEY-V C H VERLAG GMBH | Published : 2018
The exploitation of singlet fission (SF) materials in optoelectronic devices is restricted by the limited number of SF materials available and developing new organic materials that undergo singlet fission is a significant challenge. Using a new strategy based on conjugating strong donor and acceptor building blocks, the small molecule (BDT(DPP)2) and polymer (p-BDT-DPP) systems are designed and synthesized knowing that bisthiophene-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (DPP) has a low lying triplet energy level, which is further confirmed by time-dependent density functional theory (TD-DFT) calculations. TD-DFT and natural transition orbital (NTO) analysis are conducted to gain insight ..View full abstract
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Awarded by DECRA Fellowship
This work was made possible by support from the Australian Renewable Energy Agency which funds the project grants within the Australian Centre for Advanced Photovoltaics. Responsibility for the views, information, or advice expressed herein is not accepted by the Australian Government. L.G. was supported by a DECRA Fellowship until April 2017 (DE140100550) and would also like to acknowledge generous allocations of computational resources from the University of Melbourne and the National Computational Infrastructure Facility within the National Computational Merit Allocation Scheme. This work was partly supported by the JST PRESTO program (Photoenergy Conversion Systems and Materials for the Next Generation Solar Cells), Japan.