Efficient Medium Bandgap Electron Acceptor Based on Diketopyrrolopyrrole and Furan for Efficient Ternary Organic Solar Cells.

We report the design of novel medium bandgap nonfullerene small molecule acceptor NFSMA SPS-TDPP-2CNRh with A2-π-A1-π-A2 architecture, with the molecular engineering of this material comprising a strong electron-accepting backbone unit DPP (A1) as the acceptor, which is attached to the dicyanomethylene-3-hexylrhodanine (A2) acceptor via a furan (π-spacer) linker. We systematically studied its structural and optoelectronic properties. The incorporation of dicyanomethylene-3-hexylrhodanine and furan enhance the light absorption and electrochemical properties by extending π-conjugation and is anticipated to improve VOC by decreasing the LUMO level. The long alkyl chain units were responsible for the better solubility and aggregation of the resultant molecule. Binary BHJ-OSCs constructed with polymer P as the donor and SPS-TDPP-2CNRh as the acceptor resulted in a PCE of 11.49% with improved VOC = 0.98 V, JSC = 18.32 mA/cm2, and FF = 0.64 for P:SPS-TDPP-2CNRh organic solar cells. A ternary solar cell device was also made using Y18-DMO and SPS-TDPP-2CNRh as acceptors having complementary absorption profiles and polymer P as the donor, resulting in a PCE of 15.50% with improved JSC = 23.08 mA/cm2, FF = 0.73, and VOC = 0.92 V for the P:SPS-TDPP-2CNRh:Y18-DMO solar cell. The ternary OSCs with SPS-TDPP-2CNRh as the host acceptor in the P:Y18-DMO binary film were shown to have improved PCE values, which is mainly attributed to the effective photoinduced charge transfer through multiple networks and the use of excitons from SPS-TDPP-2CNRh and Y18-DMO. Moreover, in the ternary BHJ active layers, the superior stable charge transport that was observed compared to the binary counterparts may also lead to an increase in the fill factor. These results demonstrate that combining medium bandgap and narrow bandgap NFSMAs with a wide bandgap polymer donor is a successful route to increasing the overall PCE of the OSCs via the ternary BHJ concept.

Impact of A-D-A-Structured Dithienosilole- and Phenoxazine-Based Small Molecular Material for Bulk Heterojunction and Dopant-Free Perovskite Solar Cells.

Herein, the synthesis of the novel acceptor-donor-acceptor (A-D-A)-structured small molecule Si-PO-2CN based on dithienosilole (DTS) as building block flanked by electron-rich phenoxazine (POZ) units, which are terminated with dicyanovinylene, is presented. Si-PO-2CN showed unique electrochemical and photophysical properties and has been successfully employed in perovskite solar cells (PSCs) as well as in bulk heterojunction organic solar cells (OSCs). The PSCs fabricated with dopant-free Si-PO-2CN as hole-transport material (HTM) exhibited a power conversion efficiency (PCE) of 14.1 % (active area=1.02 cm2 ). Additionally, a PCE of 5.6 % has been achieved for OSCs, which employed Si-PO-2CN as p-type donor material when blended with a [6,6]-phenyl C71 butyric acid methyl ester (PC71 BM) acceptor. The versatile application of Si-PO-2CN provides a pathway for further implementation of DTS-based building blocks in solar cells for designing new molecules.

D-π-A-π-D Structured Diketopyrrolopyrrole-Based Electron Donors for Solution-Processed Organic Solar Cells.

Solution-processable D-π-A-π-D structured two organic small molecules bearing thienyl diketopyrrolopyrrole (TDPP) and furanyl diketopyrrolopyrrole (FDPP) as central acceptor units and cyano on the π-bridge and phenothiazine as the terminal donor units, coded as TDPP-PTCN and FDPP-PTCN, are designed and synthesized. The C-H arylation and Suzuki coupling protocols have been adopted for synthesizing the molecules. Solution-processed organic solar cells (OSCs) were constructed with these molecules as the donors and phenyl-C71-butyric acid methyl ester as the acceptor yielding power conversion efficiencies (PCE) of 4.0% for FDPP-PTCN and 5.2% for TDPP-PTCN, which is the highest PCE reported so far from the small molecular DPP-phenothiazine-based architecture for solution-based OSCs. The effect of heteroatom substitution on thermal stability and optoelectronic and photovoltaic performances is also systematically investigated herein. This work demonstrates that replacement of oxygen with sulfur in these kinds of small molecules remarkably improves the photovoltaic performance of OSCs.

Synthesis and Optoelectrical Characterization of Novel Squaraine Dyes Derived from Benzothiophene and Benzofuran.

Synthesis and photophysical characterizations of two novel small molecules SQ-BEN-THI and SQ-BEN-FUR with D-A-D molecular structure consisting of squaraine as central unit and benzothiophene and benzofuran as end groups are being reported. Apart from very sharp and intense light absorption by these molecular sensitizers in near-infrared (NIR) wavelength region, their possibility as small molecular organic semiconductor was also explored after fabricating organic field-effect transistors (OFETs). Results obtained from photophysical, electrochemical, and quantum chemical studies were combined to elucidate the structural and optoelectronic properties. Electrical characterization pertaining to the charge-transport properties carried after OFET fabrication exhibited field-effect mobilities of 4.0 × 10-5 and 5.4 × 10-5 cm2/(V s) for SQ-BEN-THI and SQ-BEN-FUR, respectively. After thermal annealing at 130 °C, the field-effect mobility was found to increase for both squaraine dyes. Relatively facile carrier transport in SQ-BEN-FUR compared to that of SQ-BEN-THI could be attributed to relatively higher backbone planarity as indicated from optimized molecular structure obtained after density functional theory calculations. This work may guide for further molecular design and synthesis of novel squaraine dyes for high-performance OFET applications.