Conjugated poly-ynes and poly(metalla-ynes) constitute an important class of new materials with potential application in various domains of science. The key factors responsible for the diverse usage of these materials is their intriguing and tunable chemical and photophysical properties. This review highlights fascinating advances made in the field of conjugated organic poly-ynes and poly(metalla-ynes) incorporating group 4–11 metals. This includes several important aspects of conjugated poly-ynes viz. synthetic protocols, bonding, electronic structure, nature of luminescence, structure–property relationships, diverse applications, and concluding remarks. Furthermore, we delineated the future directions and challenges in this particular area of research.

Rise of Conjugated Poly-ynes and Poly(Metalla-ynes): From Design Through Synthesis to Structure–Property Relationships and Applications

The photovoltaic cells (PVCs) from conjugated copolymers of PDTBDT-BT and PDTBDT-FBT with 5,10-bis(4,5-didecylthien-2-yl)dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene as electron donor moieties and benzothiadiazole and/or 5,6-difluorobenzothiadiazole as electron acceptor moieties are optimized by employing alcohol-soluble PFN (poly(9,9-bis(3′-(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)) as cathode modification interlayer. The power conversion efficiencies (PCEs) of inverted PVCs (i-PVCs) from PDTBDT-BT and PDTBDT-FBT with devices configuration as ITO/PFN/active layer/MoO3/Ag are increased from 4.97% to 8.54% and 5.92% to 8.74%, in contrast to those for the regular PVCs (r-PVCs) with devices configuration as ITO/PEDOT:PSS/active layer/Ca/Al under 100 mW/cm2 AM 1.5 illumination. The optical modeling calculations and X-ray photoelectron spectroscopy (XPS) investigations reveal that the r-PVCs and i-PVCs from the copolymers exhibit similar light harvesting characteristics, ...

Boosting Up Performance of Inverted Photovoltaic Cells from Bis(alkylthien-2-yl)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4',5'-b']di thiophene-Based Copolymers by Advantageous Vertical Phase Separation.

https://purehost.bath.ac.uk/ws/files/140003236/JOMC_D_15_00551_accepted_version.pdf

Conjugated poly-ynes and poly(metalla-ynes) incorporating thiophene-based spacers for solar cell (SC) applications ☆

Photophysical and optical power limiting behaviors of Au(I) acetylides with diethynyl aromatic ligands showing different electronic features

Eight novel organic compounds with donor–π–acceptor (D–π–A) structure were designed for use as donors in organic bulk heterojunction (BHJ) solar cells. The molecules have thieno[2,3-b]indole as donor, methylene malononitrile as electron acceptor group, and a π-spacer bridge based on thiophene and benzene or its derivatives. The designed compounds were studied using density functional theory (DFT) and time-dependent DFT approaches, to shed light on how the π-conjugation order influences the performance of corresponding photovoltaic solar cells. The study includes prediction of the energy of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) levels, the energy gap, Voc (the open-circuit voltage), the λmax of absorption, and other quantum-chemical parameters. The results show that, the greater the number of thiophenes present in the bridge, the better the compound as a donor for BHJ solar cells. The theoretical power conversion efficiency calculated for the designed products reaches 6%.

DFT and TD-DFT calculations on thieno[2,3-b]indole-based compounds for application in organic bulk heterojunction (BHJ) solar cells

A series of purely organic small molecules 1-4 based on bis(arylene ethynylene)s with various electron-rich aromatic bridges, such as benzene, cyclopentadithiophene (CDT), and diphenyl(p-tolyl)amine, were synthesized by a Sonogashira coupling reaction. Their optical, electronic, and electrochemical properties were fully characterized. The photovoltaic properties of these molecules as donor materials and [6,6]-phenyl-C71 -butyric acid methyl ester as an acceptor material in solution-processed bulk heterojunction devices were studied. Among them, CDT-bridged molecule 2 exhibited the best photovoltaic performance and achieved a power conversion efficiency of 3.28 %. In addition, the photovoltaic efficiencies of these molecules are higher than their corresponding platinum-containing counterparts, probably owing to their stronger light absorption and improved open-circuit voltage.

Organic Donor Materials Based on Bis(arylene ethynylene)s for Bulk Heterojunction Organic Solar Cells with High Voc Values

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Organic Donor Materials Based on Bis(arylene ethynylene)s for Bulk Heterojunction Organic Solar Cells with High Voc Values