- 标题
- 摘要
- 关键词
- 实验方案
- 产品
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Improved Efficiency in All-Small-Molecule Organic Solar Cells with Ternary Blend of Non-Fullerene Acceptor and Chlorinated and Non-Chlorinated Donors.
摘要： Ternary non-fullerene all-small-molecule organic solar cells (NFSM-OSCs) were developed by incorporating a non-fullerene acceptor (IDIC) and two structurally similar small molecular donors (SM and SM-Cl), where SM-Cl is a novel small molecular donor derived from the reported molecular donor SM. When doping 10% SM-Cl in SM:IDIC binary system, the power conversion efficiency (PCE) of ternary solar cell was dramatically increased from 9.39% to 10.29%. Characterization studies indicated that the two donors tend to form an alloy state, which effectively down-shifted the HOMO energy level of the donor, and thus promoting a higher open-circuit voltage. Interestingly, incorporating a third component (SM-Cl) with lower crystallinity was proven to facilitate the demixing between donors and acceptors, which was in contrary to the traditional findings of enhanced phase separation through incorporation of highly crystalline molecule. Although the morphological modulation had always been a bottleneck issue in NFSM-OSCs, the findings in this work indicated that the modulation on crystallinity deviation between donors and acceptors could be an effective method to further improve the performance of NFSM-OSCs, providing a new perspective on NFSM-OSCs.
关键词： alloy model,non-fullerene all-small-molecule solar cells,chlorinated molecular donor,ternary strategy,crystallinity modulation
更新于2025-09-12 10:27:22
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A medium-bandgap small molecule donor compatible with both fullerene and unfused-ring nonfullerene acceptors for efficient organic solar cells
摘要： Here we designed and synthesized a new small molecule donor DRC4TB with an alkylthiothienyl-substituted benzodithiophene as the core and 3-butyl rhodanine as the terminal group, which showed an optical bandgap of 1.87 eV. DRC4TB was compatible with both a fullerene acceptor (PC71BM) and an unfused-ring non-fullerene acceptor (HF-PCIC). The optimized DRC4TB:PC71BM and DRC4TB:HF-PCIC solar cells delivered comparable power conversion efficiencies (PCEs) of 8.53% and 8.68%, respectively.
关键词： small molecule donor,nonfullerene acceptor,organic solar cells,fullerene acceptor,power conversion efficiencies
更新于2025-09-12 10:27:22
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An A–D–D–A-type non-fullerene small-molecule acceptor with strong near-infrared absorption for high performance polymer solar cells
摘要： An acceptor–donor–donor–acceptor (A–D–D–A)-type near-infrared non-fullerene small-molecule acceptor IDT2-DFIC with indacenodithiophene–indacenodithiophene (IDT2) as a donating core and 2-(5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile (2FIC) as electron withdrawing end groups has been synthesized. Compared to A–D–A-type small-molecule acceptor IDIC-4F, IDT2-DFIC exhibits a low optical bandgap of 1.42 eV with strong absorption in the 450–874 nm region, and upshifted energy levels as an electron acceptor. Furthermore, the IDT2-DFIC-based devices exhibited higher and more balanced charge transport and smoother surface morphology. The power conversion efficiency (PCE) of the IDT2-DFIC-based devices is 10.06%, which is higher than that of the IDIC-4F-based devices (5.17%). Our work provides an efficient molecular design strategy to construct small molecule acceptors with near-infrared absorption.
关键词： IDT2-DFIC,near-infrared absorption,A–D–D–A-type,non-fullerene small-molecule acceptor,polymer solar cells
更新于2025-09-12 10:27:22
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Bromination of the Small-Molecule Acceptor with Fixed Position for High-Performance Solar Cells
摘要： Brominated A?D?A-type small-molecule acceptor ITIC-2Br-γ with certain molecular structure was designed and synthesized. Compared to the mixture of three isomers (ITIC-2Br-m), ITIC-2Br-γ shows stronger absorption in the region of 600?800 nm, which is beneficial to afford higher JSC. Furthermore, single-crystal structure analysis of ITIC-2Br-γ indicates that although the bromine atom has a larger size, the end groups of adjacent molecules still exhibit strong interactions with short π?π distance of 3.28 ?. Because of the Br···S and O···S interactions, all molecules form an interpenetrated three-dimensional network, which is beneficial for the charge to transport along multidirections. The organic solar cells (OSCs) based on the PBDB-T-2F:ITIC-2Br-γ blend film exhibit a higher power conversion efficiency (PCE) of 12.05% due to its better film morphology and higher charge mobilities, whereas a PBDB-T-2F:ITIC-2Br-m-based device only shows a moderate PCE of 10.88%. These results indicate that separation and purification of the brominated A?D?A-type small molecules are an effective way to further improve their photovoltaic performances. Furthermore, bromination is easily synthesized and is of low-cost, which exhibits great potential for the preparation of large-scale OSCs.
关键词： Brominated A?D?A-type small-molecule acceptor,ITIC-2Br-γ,organic solar cells,power conversion efficiency,charge transport
更新于2025-09-12 10:27:22
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Atom-Varied Side Chains in Conjugated Polymers Affect Efficiencies of Photovoltaic Devices Incorporating Small Molecules
摘要： We synthesized three conjugated polymers involving sulfur(S)-inserted and chlorine(Cl)-substituted side chains of the parent two-dimensional conjugated polymer—poly(benzodithiophene-thiophene-benzooxadiazole) (BO)—to form S-inserted (BO2S), Cl-substituted (BO2Cl) and S-inserted with Cl-substituted (BO2S2Cl) polymers for tuning their surface energies and, thus, interaction with IT-4F small molecule in their binary blends. In the BO:IT-4F blend, the bulk heterojunction (BHJ) structure was constituted mainly from the long-rod BO domains along with a few IT-4F domains that dispersed well in the blend; in contrast, favorable networks for charge transport existed in the BO2S or BO2S2Cl with IT-4F blend. The disk sizes of IT-4F in the BO2S2Cl:IT-4F blend were larger than that in the BO2S:IT-4F blend (23.3 vs. 18.1 nm). As the extent of atom variation increased from BO to BO2S to BO2S2Cl, the induced IT-4F crystallinity increased, and the orientation of molecular packing of the polymer varied. The highest PCE (12.06%) was that for the device based on the double sulfur-inserted/chlorine-substituted side chain polymer and IT-4F acceptor (BO2S2Cl:IT-4F), owing to the more balanced hole-to-electron mobility, being consistent with the value predicted (11.8%) using the random forest machine learning model. This study not only provides insight into the photovoltaic performance of the polymers with atom-inserted or -substituted side chain but also reveals that the effects of molecular packing.
关键词： organic photovoltaics,small molecule acceptor,machine learning,packing orientation,atom-varied polymer side chain
更新于2025-09-12 10:27:22
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31.2: <i>Invited Paper:</i> Advanced Materials Development for Ink‐Jet Printed OLEDs
摘要： High-performance, ink-jet printable OLED materials have been successfully developed. Our wide libraries of platforms and small molecule hosts were effective for improving efficiency and lifetime of OLEDs. For wide color gamut, new emitters with deep in color and narrow full-width at half maximum were developed. Further, solvent systems having physical properties suitable for improving film uniformity in pixels were found.
关键词： Small molecule,FWHM,Viscosity,Red emitter,Surface tension,Platform,Film-uniformity,PLQY,Ink-jet,OLED
更新于2025-09-12 10:27:22
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Markedly different molecular formation in DPP-based small-molecule solar cells probed by grazing-incidence wide-angle X-ray scattering
摘要： This study comprehensively explores the nanostructural properties of two diketopyrrolo[3,4-c]pyrrole-1,4-dione (DPP)-based small molecules with different alkyl side groups and their blends with the fullerene derivative PC71BM, using grazing-incidence wide-angle X-ray scattering synchrotron techniques. Preferentially relative face-on orientation within the larger and more ordered stacking phase of SM1 with its shorter side group (ethylhexyl) was observed in the majority of both pristine and blend thin films, whereas SM2 crystals showed strictly perpendicular orientation. These contrasting crystalline characteristics led to significant differences in the results, from which crystalline structure–performance property correlations are proposed. Thus, the results not only demonstrate important scientific insights into the relationship between molecular structure and crystalline formation but also provide molecular design directions that will facilitate further improvement to the morphology and performance of DPP-based small-molecule solar cells.
关键词： small-molecule donors,diketopyrrolopyrrole,grazing-incidence wide-angle X-ray scattering,molecular packing structure,small-molecule solar cells
更新于2025-09-11 14:15:04
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Enhanced Photocurrent Generation in Proton‐Irradiated “Giant” CdSe/CdS Core/Shell Quantum Dots
摘要： To study the epigenetic gene silencing, yeast is an excellent model organism. Sir proteins are required for the formation of silent heterochromatin. Sir2 couples histone deacetylation and NAD hydrolysis to generate an endogenous epigenetic metabolic small molecule, O‐acetyl‐ADP‐ribose (AAR). AAR is involved in the conformational change of SIR complexes, modulates the formation of SIR–nucleosome preheterochromatin and contributes to the spreading of SIR complexes along the chromatin fiber to form extended silent heterochromatin regions. Here, we show that AAR is capable of enhancing the chromatin silencing effect under either an extra exogenous AAR or a defect AAR metabolic enzyme situation, but decreasing the chromatin silencing effect under a defect AAR synthetic enzyme state. Our results provide an evidence of biological function importance of AAR. It is indicated that AAR does not only function in vitro but also play a role in vivo to increase the effect of heterochromatin epigenetic gene silencing. However, further investigations of AAR are warranted to expand our knowledge of epigenetics and associated small molecules.
关键词： epigenetic,silent heterochromatin,metabolite,small molecule,Sir2,O‐acetyl‐ADP‐ribose,SIR complex
更新于2025-09-11 14:15:04
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Conjugation‐Curtailing of Benzodithionopyran‐Cored Molecular Acceptor Enables Efficient Air‐Processed Small Molecule Solar Cells
摘要： Small molecule solar cells (SMSCs) lag a long way behind polymer solar cells. A key limit is the less controllable morphology of small molecule materials, which can be aggravated when incorporating anisotropic nonfullerene acceptors. To fine-tune the blending morphology within SMSCs, a π-conjunction curtailing design is applied, which produces a efficient benzodithionopyran-cored molecular acceptor for nonfullerene SMSCs (NF-SMSCs). When blended with a molecular donor BDT3TR-SF to fabricate NF-SMSCs, the π-conjunction curtailed molecular acceptor NBDTP-M obtains an optimal power conversion efficiency (PCE) of up to 10.23%, which is much higher than that of NBDTTP-M of longer π-conjunction. It retains 93% of the PCE of devices fabricated in a glove box when all spin-coating and post-treating procedures are conducted in ambient air with relative humidity of 25%, which suggests the good air-processing capability of π-conjunction curtailed molecules. Detailed X-ray scattering investigations indicate that the BDT3TR-SF:NBDTP-M blend exhibits a blend morphology featuring fine interpenetrating networks with smaller domains and higher phase purity, which results in more efficient charge generation, more balanced charge transport, and less recombination compared to the low-performance BDT3TR-SF:NBDTTP-M blend. This work provides a guideline for molecular acceptors’ design toward efficient, low-cost, air-processed NF-SMSCs.
关键词： electron acceptors,all-small-molecule solar cells,air-processing,power conversion efficiency
更新于2025-09-11 14:15:04
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Performance enhancement of small molecular solar cells via luminescent sensitizer 4,5-bis(carbazol-9-yl)-1,2- dicyanobenzene (2CzPN)
摘要： Enhanced performance of small molecule organic solar cells (SM-OSCs) is presented by incorporating a blue luminescent sensitizer layer 4,5-bis(carbazol-9-yl)-1,2-dicyanobenzene (2CzPN). The VOC increases from 0.98 V to 1.17 V due to the slightly deeper highest occupied molecular orbital (HOMO) level of 2CzPN than subphthalocyanine (SubPc). The estimated hole injection barrier slightly increases from 0.809 eV (without 2CzPN) to 0.874 eV (5 nm 2CzPN) and the hole mobility simultaneously decreases. This strategy provides a facile approach for effective utilization of high-energy photons.
关键词： SubPc,2CzPN,small molecule solar cells,luminescent sensitizer
更新于2025-09-11 14:15:04