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Here in, we have designed two new unfused non-fullerene small molecules using asymmetric benzo[1,2-b:3.4-b', 6,5-b"]trithiophene (BTT) as the central donor core and different terminal units i. e., 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile (NFA-4) and 1,3-diethyl-2-thioxodi hydropyrimidine-4,6 (1H,5H)-dione (NFA-5) and examined their optical and electrochemical properties. Using a wide band-gap copolymer D18, organic solar cells (OSCs) based on bulk heterojunction of D18:NFA-4 and D18:NFA-5 showed overall power conversion efficiency (PCE) of about 17.07 % and 11.27 %, respectively. The increased PCE for the NFA-4-based OSC, compared to NFA-5 counterpart, is due higher value of short circuit current (J SC ), open circuit voltage (V OC ), and fill factor (FF). Following the addition of small amount of NFA-5 to the binary bulk heterojunction D18:NFA-4, the ternary organic solar cells attained a PCE of 18.05 %, surpassing that of the binary counterparts due to the higher values of which is higher than that for the binary counterparts and attributed to the increased values of J SC , FF, and V OC . The higher value of J SC is linked to the efficient use to excitons transferred from NFA-5 to NFA-4 with a greated dipole moment than NFA-5 and subsequently dissociated into a free charge carrier efficiently., (© 2024 Wiley-VCH GmbH.)

A [3 + 2] cycloaddition reaction using dialkyne and diazide comonomers, both bearing explosophoric groups, to synthesize energetic polymers containing furazan and 1,2,3-triazole ring as well as nitramine group in the polymer chain have been described. The developed solvent- and catalyst-free approach is methodologically simple and effective, the comonomers used are easily available, and the resulting polymer does not need any purification. All this makes it a promising tool for the synthesis of energetic polymers. The protocol was utilized to generate multigram quantities of the target polymer, which has been comprehensively investigated. The resulting polymer was fully characterized by spectral and physico-chemical methods. Compatibility with energetic plasticizers, thermochemical characteristics, and combustion features indicate the prospects of this polymer as a binder base for energetic materials. The polymer of this study surpasses the benchmark energetic polymer, nitrocellulose (NC), in a number of properties.

We have designed a new medium bandgap non-fullerene small-molecule acceptor consisting of an IDT donor core flanked with 2-(6-oxo-5,6-dihydro-4 H -cyclopenta[ c ]-thiophene-4-ylidene) malononitrile (TC) acceptor terminal groups ( IDT-TC ) and compared its optical and electrochemical properties with the IDT-IC acceptor. IDT-TC showed an absorption profile from 300 to 760 nm, and it has an optical bandgap of 1.65 eV and HOMO and LUMO energy levels of -5.55 and -3.83 eV, respectively. In contrast to IDT-IC, IDT-TC has an upshifted LUMO energy level, which is advantageous for achieving high open-circuit voltage. Moreover, IDT-TC showed higher crystallinity and high electron mobility than IDT-IC. Using a wide bandgap D-A copolymer P as the donor, we compared the photovoltaic performance of IDT-TC , IDT-IC, and IDT-IC-Cl nonfullerene acceptors (NFAs). Polymer solar cells (PSCs) using P: IDT-TC , P: IDT-IC, and P:IDT-IC-Cl active layers achieved a power conversion efficiency (PCE) of 14.26, 11.56, and 13.34%, respectively. As the absorption profiles of IDT-IC-Cl and IDT-TC are complementary to each other, we have incorporated IDT-TC as the guest acceptor in the P: IDT-IC-Cl active layer to fabricate the ternary (P: IDT-TC : IDT-IC-Cl) PSC, demonstrating a PCE of 16.44%, which is significantly higher than that of the binary BHJ devices. The improvement in PCE for ternary PSCs is attributed to the efficient exploitation of excitons via energy transfer from IDT-TC to IDT-IC-Cl, suitable nanoscale phase separation, compact stacking distance, and more evenly distributed charge transport., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Two D-A copolymers consisting of fused ring pyrrolo-dithieno-quinoxaline acceptors are synthesized with different donor units, i.e., benzodithiophene (BDT) with alkylthienyl (P134) and 2-ethylhexyloxy (P117) side chains. These copolymers are used as donors and a narrow bandgap acceptor Y6 to fabricate bulk heterojunction polymer solar cell devices. Owing to the strong electron-deficient fused ring pyrrolo-bithieno-quinoxaline and weak alkyl thienyl side chains in BDT, the polymer solar cells (PSCs) based on P134:Y6 attain the power conversion efficiency (PCE) of 15.42%, which is higher than the P117:Y6 counterpart (12.14%). The superior value of PCE for P134:Y6 can be associated with more well-adjusted charge transport, weak charge recombination, proficient exciton generation, and dissociation into free charge carriers and their subsequent charge collection owing to the dense π-π stacking distance and more considerable crystal coherence length for the P134:Y6 thin films. This investigation confirms the great potential of a strong acceptor-weak donor tactic for developing efficient D-A copolymers consists of quinoxaline acceptor for PSCs., (© 2022 Wiley-VCH GmbH.)

A new acceptor unit anthra[1,2-b: 4,3-b': 6,7-c'']trithiophene-8,12-dione (А3Т) (A2) is synthesized and used to design D-A 1 -D-A 2 medium bandgap donor copolymers with same thiophene (D) and A2 units but different A1, i.e., fluorinated benzothiadiazole (F-BTz) and benzothiadiazole (BTz) denoted as P130 and P131, respectively. Their detailed optical and electrochemical properties are examined. The copolymers show good solubility in common organic solvents, broad absorption in the visible spectral region from 300 to 700 nm, and deeper HOMO levels of -5.45 and -5.34 eV for P130 and P131, respectively. Finally, an optimized polymer solar cell (PSC) based on P131 as the donor and narrow bandgap non-fullerene small molecule acceptor Y6 demonstrated a power conversion efficiency (PCE) of >11.13%. To further improve the efficiency of the non-fullerene PSC, the P130 is optimized by introducing a fluorine atom into the BTz unit, F-BTz acceptor unit, and PCE PSC based on P130: Y6 active layer increased to >15.28%, which is higher than that for the non-fluorinated analog P131:Y6. The increase in the PCE for former PSC is attributed to the more crystalline nature and compact π-π stacking distance, leading to more balanced charge transport and reduced charge recombination. These remarkable results demonstrate that A3T-based copolymer P130 with F-BTz as the second acceptor is a promising donor material for high-performance PSCs., (© 2022 Wiley-VCH GmbH.)

A new wide-bandgap conjugated D-A polymer denoted as P106 with a medium acceptor dithieno [2,3-e;3'2'-g]isoindole-7,9 (8H) (DTID) unit and strong 2-dodecylbenzo[1,2-b:3,4-b':6,5-b"]trithiophene (3TB) donor units shows an optical bandgap of 2.04 and highest occupied molecular orbital energy level of -5.56 eV. P106 is used as the donor and two nonfullerene acceptors-medium bandgap DBTBT-IC and narrow band Y18-DMO-are used as acceptors for the construction of binary and ternary bulk heterojunction polymer solar cells. The optimized polymer solar cells based on P106 : DBTBT-IC and P106 : Y18-DMO exhibit power conversion efficiencies of 11.76 % and 14.07 %, respectively. The short-circuit current density (22.78 mA cm -2 ) for the P106 : Y18-DMO device is higher than that for P106 : DBTBT-IC (18.56 mA cm -2 ) one, which could be attributed to the more photon harvesting efficiency of the P106 : Y18-DMO active layer. In light of the high short-circuit current densities and fill factors for the Y18-DMO based device and the high value of open circuit voltage of the DBTBT-IC based device, ternary polymer solar cells are fabricated by using ternary active layer (P106 : DBTBT-IC : Y18-DMO) and achieve a power conversion efficiency of 16.49 % with low energy loss of 0.47 eV., (© 2021 Wiley-VCH GmbH.)

Herein we report the synthesis of a novel A-D-A-D-A non-fullerene small-molecule acceptor (NFSMA) bearing a diketopyrrolopyrrole (DPP) acceptor central core coupled to terminal rhodanine acceptors via a thiophene donor linker (denoted as MPU1) for use in non-fullerene polymer solar cells (PSCs). This NFSMA exhibits a narrow optical band gap (1.48 eV), strong absorption in the 600-800 nm wavelength region of the solar spectrum, and a lowest unoccupied energy level of -3.99 eV. When the mixture of a medium band gap D-A copolymer P (1.75 eV) was used as donor and MPU1 as acceptor, the blend film showed a broad absorption profile from 400 to 850 nm, beneficial for light harvesting efficiency of the resulted polymer solar cell. After optimization of the donor-to-acceptor weight ratios and concentration of solvent additive, the P-MPU1-based PSC exhibited a power conversion efficiency of 7.52% (J sc = 12.37 mA/cm 2 , V oc = 0.98 V, and fill factor = 0.62), which is much higher than that for a P3HT-MPU1-based device (2.16%) prepared under identical conditions. The higher value for the P-MPU1-based device relative to the P3HT-MPU1-based one is related to the low energy loss and more balanced charge transport in the device based on the P donor. These results indicate that alteration of the absorption spectra and electrochemical energy levels of non-fullerene acceptors, and appropriate selection of the polymer donor with complementary absorption profile, is a promising means to further boost the performance of PSCs.

This paper describes the preparation of fluorinated graphene nanosheets (FGNs) through photoexfoliation of fluorinated graphite (FG) in the liquid phase. We discovered that UV irradiation of FG dispersions in N-methyl-2-pyrolidone facilitated exfoliation to give FGNs. Transmission electron microscopy and atomic force microscopy revealed that the average thickness of the FGNs was approximately 3 nm; they were considerably thinner than the nanosheets prepared using a conventional sonication approach. Furthermore, when the FGNs were deposited uniformly onto substrates (through spin coating), they formed effective cathode interlayers for polymer solar cells (PSCs), the efficiency of which was 60% greater than that of PSCs containing FGNs prepared through ultrasonication.

Donor-acceptor-acceptor (D-A-A) type 1,8-naphthalimide based small molecules SM1 and SM2 functionalized with tetracyanobutadiene (TCBD) and dicyanoquino-dimethane (DCNQ) modules, showing strong absorption in the visible and near-infrared (NIR) region are reported. TCBD and DCNQ linked SM1 and SM2 exhibit multi-redox waves. The electrochemical and optical HOMO-LUMO gaps show similar trends. These SMs exhibit a broad absorption profile which is complementary to the D-A copolymer P donor and also possess an appropriate lowest unoccupied molecular orbital (LUMO) to serve as an acceptor with P with a LUMO level of -3.33 eV. The organic solar cells based on P : SM1 and P : SM2 exhibit a PCE of 4.94% and 6.11%, respectively. The higher value of the PCE for the SM2 based organic solar cells has been attributed to the broader absorption profile, more balanced charge transport and lower photon energy loss. The values of V oc of the organic solar cells for the SM1 acceptor (1.06 V and 1.02 V without and with solvent additive) are the highest values reported for devices based on non-fullerene acceptors to the best of our knowledge. The energy loss ( E loss ) of 0.56 eV and 0.48 eV for SM1 and SM2 based devices, respectively is one of the smallest reported for BHJ organic solar cells.

Two novel regular terpolymers that are of D-A1-D-A2 type and contain benzothiadiazole and 2,5-dibromo-8-dodecanoylbenzo[1,2-b:3,4-b':5,6-d″]trithiophene (P1) or 2,8-dibromo-5-dodecanoylbenzene[1,2-b:3,4-b':5,6-d″]trithiophene (P2) acceptor units with the same thiophene donor were synthesized through Stille coupling, and their optical and electrochemical properties were investigated. The highest occupied molecular orbital (HOMO) and lowest unoccupied (LUMO) molecular orbital energy levels of these terpolymers indicate that there is sufficient LUMO offset with PCBM for efficient exciton dissociation, and their deeper HOMO levels ensure the high open-circuit voltage for the resultant bulk heterojunction solar cells. Measurements on the solar cell devices also confirm that compared to those based on P2 the devices based on P1 possess a higher short-circuit photocurrent (J sc ) as well as a higher fill factor (FF), which is attributed to the lower bandgap and higher hole mobility for P1, whereas the V oc is higher for the devices that are based on P2, which may be a result of P2 having a lower HOMO energy level than P1. The optimized polymer solar cells fabricated using P1:PC 71 BM (DIO/CF) and P2:PC 71 BM (CF/DIO) for the active layers showed a PCE of 7.19% and 6.34%, respectively. Atomic force microscopy (AFM) images of P1:PC 71 BM blend films show that they exhibit more suitable morphology with favorable interpenetrating networks, which favors high J sc and FF. Moreover, P1 exhibits a more crystalline nature than P2 that also favors the charge transport. This may be a result of better molecular packing, more distinct phase separation of the blended films, as well as a reduction of charge recombination.

Hybrid organic/inorganic perovskites are promising candidate materials for use in photovoltaic applications. More recently, they have also become highly attractive as active materials for other optoelectronic devices, including lasers, light-emitting diodes, and photodetectors. Nevertheless, difficulties in forming continuous and uniform films and the existence of a charge-injection barrier between the perovskite layer and the electrodes have hindered the development of high-performance perovskite light-emitting diodes (PeLEDs). In this study, a cross-linked hole-transport layer (HTL) is introduced to improve the hole-injection efficiency of PeLEDs. Furthermore, this layer simultaneously facilitates the formation of smooth perovskite layers, presumably because of the different surface energies. More interestingly, the HTL also exhibits strong solvent effects on the device performance. When the processing solvent for fabricating the HTLs is changed from chlorobenzene to N,N-dimethylformamide (DMF), the perovskite layer becomes more uniform and continuous, leading to better surface coverage and higher device efficiency, presumably because DMF has strong affinity toward the perovskite precursors. The approach presented herein could become a general method for decreasing the hole-injection barrier of PeLEDs and, eventually, lead to higher device performance.

We synthesized two novel ultra low bandgap donor-acceptor (D-A) copolymers (E(g) ≤ 1.2 eV), containing the thiadiazoloquinoxaline unit as the main electron accepting unit (A) and benzodithiophene (BDT) and dithienosilole (DTS) as different donor units (D), denoted as P1 and P2, respectively, using the cross-coupling Stille reaction. The copolymers possess light absorption ranging from UV (350 nm) to near-IR (1300 nm) with optical bandgaps of 1.16 eV and 1.08 eV, respectively. Quantum-chemical calculations and experimental data were compared for proposing a more detailed concept for the optical and electronic properties of these copolymers which can be used as donors for polymer solar cells (PSCs). The PSCs based on optimized P1:PC71BM and P2:PC71BM showed overall power conversion efficiencies (PCEs) of 4.32% and 3.48%, respectively. Although P2 possesses a broad absorption coverage of up to 1300 nm, the lower PCE may be attributed to the low J(sc), due to the poor driving force for exciton dissociation, since the LUMO offset with PC71BM is less than 0.3 eV. The PCE has been significantly increased to 7.27% and 6.68% for solvent vapor annealing (SVA) treated P1:PC71BM and P2:PC71BM active layers, respectively. This improvement arises from the appropriate nanoscale morphology and an increase in hole mobility, induced by the SVA treatment of the active layers.

In this paper the three new narrow bandgap D–A conjugated copolymers P1, P2 and P3 based on different weak donor fused thiophene-imidazole containing derivatives and the same benzothiadiazole acceptor unit were synthesized by Stille cross-coupling polymerization and characterized by 1H NMR, elemental analysis, GPC, TGA, DSC. These copolymers exhibit intensive absorbance in the range 350–900 nm and the optical bandgap lies in the range of 1.50–1.61 eV, which corresponds to the maximum photon flux of the solar spectrum. The electrochemical bandgap derived from cyclic voltammetry varies within the limits 1.47–1.65 eV and is approximately very close to the optical bandgap. The highest occupied molecular orbital (HOMO) energy level of all copolymers is deep lying (−5.24 eV and −5.37 eV and −5.25 eV for P1, P2 and P2, respectively) which shows that copolymers have good stability in the air and assured a higher open circuit voltage (Voc) for polymer BHJ solar cells. These copolymers were used as donors along with PC71BM and the BHJ polymer solar cells based on P1:PC71BM, P2:PC71BM and P3:PC71BM processed from chloroform (CF) solvent with 3 v% DIO as an additive showed an overall PCE of 4.55%, 6.76% and 5.16%, respectively.