Efficient Organic Solar Cells Research Articles

Configurational Isomerization‐Induced Orientation Switching: Non‐Fused Ring Dipodal Phosphonic Acids as Hole‐Extraction Layers for Efficient Organic Solar Cells

AbstractPhosphonic acid (PA) self‐assembled molecules have recently emerged as efficient hole‐extraction layers (HELs) for organic solar cells (OSCs). However, the structural effects of PAs on their self‐assembly behaviors on indium tin oxide (ITO) and thus photovoltaic performance remain obscure. Herein, we present a novel class of PAs, namely “non‐fused ring dipodal phosphonic acids” (NFR‐DPAs), featuring simple and malleable non‐fused ring backbones and dipodal phosphonic acid anchoring groups. The efficacy of configurational isomerism in modulating the photoelectronic properties and switching molecular orientation of PAs atop electrodes results in distinct substrate surface energy and electronic characteristics. The NFR‐DPA with linear (C2h symmetry) and brominated backbone exhibits favorable face‐on orientation and enhanced work function modification capability compared to its angular (C2v symmetry) and non‐brominated counterparts. This makes it versatile HELs in mitigating interfacial resistance for energy barrier‐free hole collection, and affording optimal active layer morphology, which results in an impressive efficiency of 19.11 % with a low voltage loss of 0.52 V for binary OSC devices and an excellent efficiency of 19.66 % for ternary OSC devices. This study presents a new dimension to design PA‐based HELs for high‐performance OSCs.

Designing a Highly Crystalline Polymer Donor with Alkylsilyl and Fluorine Substitution to Achieve Efficient Ternary Organic Solar Cells.

Adopting a ternary strategy is an effective approach to enhance the power conversion efficiency (PCE) in organic solar cells (OSCs). Previous research on highly efficient ternary systems has predominantly focused on those based on highly crystalline dual small molecule acceptors. However, limited attention has been given to ternary systems utilizing dual polymer donors. Herein, by incorporating the fluorine and alkylsilyl substitution, a new polymer donor named PX1 is developed, which demonstrates strong crystallinity and excellent miscibility with polymer PM6. Moreover, PX1 broadens and enhances the absorption properties of the PM6:L8-BO blends, and its molecular orbital energy level is situated between those of PM6 and L8-BO, highlighting its suitability as a third component. Introducing 20% PX1 into the PM6:L8-BO system resulted in a high PCE of 18.82%. PX1 effectively suppresses charge recombination and reduces energy losses, while also serving as a morphology modulator that enhances the crystallization and improves the molecular packing order of the active layer by shortening the π-π stacking distance and extending crystalline coherence length. These factors collectively contribute to the performance improvements in ternary devices. This study demonstrates that employing a dual polymer donor strategy is a promising approach for achieving high-performance ternary OSCs.

Elucidating the Advancement in the Optoelectronics Characteristics of Benzoselenadiazole-Based A2-D-A1-D-A2-Type Nonfullerene Acceptors for Efficient Organic Solar Cells.

The potential applications of nonfullerene acceptors (NFAs) such as tunable band gaps, improved charge separation, wide-range absorption, enhanced power conversion efficiency, and operational stability make them highly favorable for organic photovoltaic applications. Herein, we designed eight novel structurally modified nonfused benzoselenadiazole (BSe)-based A2-D-A1-D-A2-type NFAs for efficient organic solar cells (OSCs). These newly modeled BSe-based NFA series contain BSe as the central core. We employed strong electron-withdrawing moieties at terminal acceptor A2 to further enhance the optical, optoelectronics, and photovoltaic characteristics of OSCs. These designed molecules (HNM1-HNM8) along with the synthetic reference molecule (HNM) were thoroughly characterized by using efficient and advanced quantum chemical simulation approaches. Thus, to ascertain the enhancement of both optical and photochemical response, a thorough density functional theory (DFT) study was carried out using the M062X level in association with the 6-31G(d,p) basis set. All of the investigated molecules (HNM1-HNM8) had their excited states calculated using the time-dependent density functional theory method. The newly designed molecules (HNM1-HNM8) presented narrower band gaps, improved absorption and optoelectronics properties, and reduced excitation and binding energies. The electrostatic potential, density of states, transition density matrix, ionization potential, and electron affinity analysis of this newly designed (HNM1-HNM8) series revealed a strong coherence with those of the reference HNM molecule. Electron density difference mapping allowed us to visualize the spatial movement of electrons between the donor and acceptor molecules during excitation. This insight helps us to understand the efficiency of charge separation and recombination processes that are critical for the performance of organic photovoltaics. The reorganization energy and charge transfer analysis suggests that HNM1-HNM8 molecules could act as NFAs for organic photovoltaic applications to enhance their efficiency further. The donor: acceptor charge transfer analysis was also carried out, which revealed that the PTB7-Th:HNM2 donor:acceptor complex shows a great charge transportation process at the donor-acceptor interface. Moreover, the photovoltaic analysis shows that the designed (HNM1-HNM8) NFA series has a great potential to produce improved open-circuit voltage and fill factor values, which may be helpful in enhancing the overall PCEs of the OSCs.

Synergistic Design of Imidazole-Based Polymer Donors for Enhanced Organic Solar Cell Efficiency.

Within the realm of organic solar cells (OSCs), designing new high-efficiency polymer donors remains a significant challenge. Achieving the right balance in polymer backbone planarity is crucial: excessive planarity can lead to undesirable aggregation, while insufficient planarity can hinder the charge transport efficiency. In this study, we designed and synthesized an imidazole-based acceptor (A) unit for the first time and then investigated the impact of backbone planarity on charge transport capacity and power conversion efficiency (PCE). Backbone planarity was precisely tuned by incorporating isomeric alkyl chains on the thiophene π-bridge, resulting in four distinct polymer donors: MZC8-F, MZC8-Cl, MZEH-F, and MZEH-Cl. The results showed that the steric hindrance from the EH-branched alkyl chain induced backbone distortion and caused a blue-shift in the absorption spectrum. MZEH-Cl, with its poor planarity and excessively low HOMO energy level, achieved a PCE of just 7.6%. Through careful modulation, MZC8-Cl emerged as the most efficient, with a remarkable PCE of 17.3%, setting a new benchmark for imidazole-based polymer donors. This study not only deepens the understanding of the role of polymer backbone planarity in photovoltaic performance but also lays the groundwork for developing high-efficiency polymer donors.

Morphology Optimization by Non-Halogenated and Twisted Volatile Solid Additive for High-Efficiency Organic Solar Cells.

Recently, volatile solid additives have attracted tremendous interest in the field of organic solar cells (OSCs), which can effectively improve device efficiency without sacrificing the reproducibility and stability of the device. However, the structure of reported solid additives is onefold and its working mechanism needs to be further investigated. Herein, a novel non-halogenated and twisted solid additive 1,4-diphenoxybenzene (DPB) is employed to optimize the morphology of the active layer in OSCs. The properties of additive DPB, morphology of active layer, and carrier dynamics behaviors have been systematically investigated through theoretical calculations, in situ and ex situ spectroscopy, grazing-incidence wide-angle X-ray scattering (GIWAXS), and grazing-incidence small-angle X-ray scattering (GISAXS) measurement, as well as ultrafast spectroscopy technology. The results reveal that the twisted additive DPB selectively interacts with acceptor Y6, and thus forms optimized morphology of active layer with increased molecular crystallinity, tight molecular packing, and favorable phase separation. As a result, the optimized devices deliver a remarkable power conversion efficiency (PCE) of 19.04%, which is the highest value for the D18-Cl:N3 system to date. These results demonstrate that non-halogenated and twisted solid additive DPB has broad prospects in the preparation of highly efficient OSCs, providing theoretical and experimental guidance for the development of high-performance solid additives.

High efficiency homojunction tandem organic solar cells with all solution processable interconnect layer

In the field of organic photovoltaics, the power conversion efficiency of single junction solar cells continues to improve. However, tandem organic solar cells are poised to push the efficiency limits even further and offer a promising avenue for improving the performance of organic photovoltaic devices. This study reports the development of an all-solution processed interconnecting layer (ICL) based on ZnO NPs:PEI/PEI/PEDOT:PSS/2PACz for tandem solar cells. The PM6:BTP-eC9 active layer material was adjusted for its donor-to-acceptor (D/A) ratio and film thickness as the front and back sub-cells. The ICL exhibits favorable mechanical, electrical and optical properties. Through multidimensional modulation, the front and rear sub-cells have been optimized to obtain highly efficient homojunction tandem solar cells. The tandem solar cell has a structure of indium tin oxide (ITO)/PEDOT:PSS/2PACz/active layer/ICL/active layer/PNDIT-F3N/Ag. This optimization resulted in a power conversion efficiency (PCE) of 19.9 %, which is the highest reported efficiency for homojunction tandem organic solar cells to date. Our research demonstrates that the PCE of homojunction tandem cells can be significantly improved by careful design of the interconnecting layers and optimization of the donor-to-acceptor (D/A) ratio. This strategy may provide guidance for further improvements in homojunction tandem cells.

Thienyltriazine Triamides: Thickness Insensitive Interlayer Materials Featuring Fine-Tuned Optoelectronic and Aggregation Characters for Efficient Organic Solar Cells.

A novel class of thienyltriazine triamides (TTTAs) was facile synthesized and firstly used as cathode interlayers (CILs) for organic solar cells (OSCs). By utilizing different aromatic arms and pendant polar groups, their optoelectronic properties and aggregation behaviors were effectively modulated. The combination of thienyltriazine (TT) core, naphthylamide arm and imidazole pendant group endows TT-N-M with suitable energy levels, intensified work function tunability, higher conductivity, and well-balanced crystallinity and film-forming ability, boosting both the performance and stability of OSCs significantly. Remarkably, the solar cell efficiency remains stable at around 90 % of the optimal efficiency even as the interlayer thickness varied from 5 to 95 nm, demonstrating its insensitivity to thickness. Moreover, TT-N-M exhibits compatibility with various active layer systems, achieving a maximum efficiency of 19.60 % for single-junction solar cell. Its exceptional tolerance to thickness fluctuations and performance establishes a new benchmark for multi-armed CIL-based OSCs, also positioning them among the most high-performing CIL materials documented thus far. This work not only broadens the scope of CIL materials for OSCs but also offers deep insights into design strategies and structure-properties relationships, being beneficial for the future development of more efficient CIL materials for organic optoelectronic applications.

A low-cost wide bandgap polymer based on carboxylate substituted thiazole enables efficient organic solar cells with remarkable batch-to-batch reproducibility

A low-cost wide bandgap polymer based on carboxylate substituted thiazole enables efficient organic solar cells with remarkable batch-to-batch reproducibility

Role of Near-IR Sensitive Asymmetric A-DA′D–π–A-type Non-Fullerene Acceptors for Efficient Organic Solar Cells: A Theoretical Insight

Non-fullerene acceptor (NFA) molecules attracted huge attention from the photovoltaic community for their potential use in organic solar cells (OSCs). Herein, we designed a series of NFA materials (AR1–AR9) for OSCs by altering end-capped moieties. We employed various advanced density functional theory (DFT) and time-dependent (TD-DFT) approaches to characterize this designed AR1–AR9 series. Compared to the synthetic reference molecule ([Formula: see text], designed molecules AR1–AR9 revealed a smaller bandgap (1.85 eV), and improved absorption spectra ([Formula: see text] 741 nm) in comparison to [Formula: see text] ([Formula: see text] 668 nm), indicating the better potential for the tailored molecules. Furthermore, the designed series (AR1–AR9) shows lower reorganization energy values (for holes and electrons) and lower binding energies (0.323 eV), whereas, improved charge mobilities, showing them better candidates for OSCs. Moreover, frontier molecular orbitals (FMO), open-circuit voltages ([Formula: see text] and improved charge-transfer characteristics have also been investigated. These findings revealed that all developed NFAs exhibited a wide range of exciton dissociation constants and enhanced absorption efficiency with a relatively lower LUMO energy level. Therefore, we believe that these materials will be beneficial in boosting the power conversion efficiency (PCE) of OSC devices by improving their optoelectronic and photophysical properties.

Heterojunction Organic Solar Cells with Efficient Charge Mobility and Separation Capabilities Studied by DFT.

The properties of the active layer materials play a decisive role in determining the power conversion efficiency of organic solar cells (OSCs). Chlorophyll and its derivatives are abundant and environmentally friendly functional organic molecular materials. Using density functional theory (DFT) and time-dependent density functional theory (TD-DFT), we have calculated the absorption spectra and their excited state properties based on optimized ground state structures. It was found that bacteriochlorin exhibits superior structural properties, a smaller energy gap and hole reorganization energy, redshifted absorption spectra, and higher hole mobility compared to the donor D18. This suggests that bacteriochlorin exhibits superior donor properties. Comparative studies between o-AT-2Cl and m-AT-2Cl showed that o-AT-2Cl had superior acceptor properties, implying that differences in substitution positions can influence the physicochemical properties of non-fullerene acceptors (NFAs). Subsequently, six bulk heterojunctions (BHJs) were constructed by combining three donors with nonfused ring electron acceptors, o-AT-2Cl and m-AT-2Cl. The bacteriochlorin-based BHJs performed well among them, with BChl3/o-AT-2Cl and BChl4/o-AT-2Cl having the largest interfacial charge separation rate. The results suggested that BHJs composed of bacteriochlorin and NFAs can improve OSCs' photovoltaic performance, providing a feasible scheme for designing efficient OSCs.

Nonfullerene Acceptors Bearing Spiro-Substituted Bithiophene Units in Organic Solar Cells: Tuning the Frontier Molecular Orbital Distribution to Reduce Exciton Binding Energy.

The development of nonfullerene acceptors (NFAs), represented by ITIC, has contributed to improving the power conversion efficiency (PCE) of organic solar cells (OSCs). Although tuning the electronic structures to reduce the exciton binding energy (Eb) is considered to promote photocharge generation, a rational molecular design for NFAs has not been established. In this study, we designed and developed two ITIC-based NFAs bearing spiro-substituted bithiophene or biphenyl units (named SpiroT-DCI and SpiroF-DCI) to tune the frontier molecular orbital (FMO) distribution of NFAs. While the highest occupied molecular orbitals (HOMOs) of SpiroF-DCI and ITIC are delocalized in the main π-conjugated framework, the HOMO of SpiroT-DCI is distributed on the bithiophene unit. Reflecting this difference, SpiroT-DCI exhibits a smaller Eb than either SpiroF-DCI or ITIC, and exhibits greater external quantum efficiency in single-component OSCs. Furthermore, SpiroT-DCI shows improved PCEs for bulk-heterojunction OSCs with a donor of PBDB-T, compared with that of either SpiroT-DCI or ITIC. Time-resolved spectroscopy measurements show that the photo-induced intermolecular charge separation is effective even in pristine SpiroT-DCI films. This study highlights the introduction of spiro-substituted bithiophene units that are effective in tuning the FMOs of ITIC, which is desirable for reducing the Eb and improving the PCE in OSCs.

Highly efficient organic solar cells enabled by suppressing triplet exciton formation and non-radiative recombination

The high non-radiative energy loss is a bottleneck issue that impedes the improvement of organic solar cells. The formation of triplet exciton is thought to be the main source of the large non-radiative energy loss. Decreasing the rate of back charge transfer is considered as an effective approach to alleviate the relaxation of the charge-transfer state and the triplet exciton generation. Herein, we develops an efficient ternary system based on D18:N3-BO:F-BTA3 by regulating the charge-transfer state disorder and the rate of back charge transfer of the blend. With the addition of F-BTA3, a well-defined morphology with a more condensed molecular packing is obtained. Moreover, a reduced charge-transfer state disorder is demonstrated in the ternary blend, which decreases the rate of back charge transfer as well as the triplet exciton formation, and therefore hinders the non-radiative recombination pathways. Consequently, D18:N3-BO:F-BTA3-based device produces a low non-radiative energy loss of 0.183 eV and a record-high efficiency of 20.25%. This work not only points towards the significant role of the charge-transfer state disorder on the suppression of triplet exciton formation and the non-radiative energy loss, but also provides a valuable insight for enhancing the performance of OSCs.

2D g-C3N5 p-Doping of Donor Material for High-Efficiency Organic Solar Cells.

Molecular doping of organic semiconductor is a great strategy for significantly regulating the electronic band structure of organic semiconductor while increasing charge mobility and carrier concentration. Here, a facile strategy is presented by introducing 2D g-C3N5 as a p-dopant into PM6, improving the charge mobility and hole carrier concentration of PM6. Moreover, the electron transfer between PM6 and g-C3N5 can effectively downshift the Fermi energy level and highest occupied molecular orbital (HOMO) energy level of PM6, which leads to the increase the built-in electric field of organic solar cells (OSCs). The addition of g-C3N5 also effectively enhances the crystallization of active layer, thereby improving the stability of OSCs. As a result, a champion bulk-heterojunction (BHJ) and layer-by-layer (LbL) structure OSCs are successfully achieved featuring a high-power conversion efficiency of 18.10%/18.25%, simultaneously having excellent device stability. This work shows that introducing a low concentration dopant into organic donor is an effective method for improving the electrical performance of organic donor and the efficiency of OSCs.

Customizing Aniline-Derived Molecular Structures to Attain beyond 22 % Efficient Inorganic Perovskite Solar Cells.

The characteristics of the soft component and the ionic-electronic nature in all-inorganic CsPbI3-xBrx perovskite typically lead to a significant number of halide vacancy defects and ions migration, resulting in a reduction in both photovoltaic efficiency and stability. Herein, we present a tailored approach in which both anion-fixation and undercoordinated-Pb passivation are achieved in situ during crystallization by employing a molecule derived from aniline, specifically 2-methoxy-5-trifluoromethylaniline (MFA), to address the above challenges. The incorporation of MFA into the perovskite film results in a pronounced inhibition of ion migration, a significant reduction in trap density, an enhancement in grain size, an extension of charge carrier lifetime, and a more favorable alignment of energy levels. These advantageous characteristics contribute to achieving a champion power conversion efficiency (PCE) of 22.14 % for the MFA-based CsPbI3-xBrx perovskite solar cells (PSCs), representing the highest efficiency reported thus far for this type of inorganic metal halide perovskite solar cells, to the best of our knowledge. Moreover, the resultant PSCs exhibits higher environmental stability and photostability. This strategy is anticipated to offer significant advantages for large-area fabrication, particularly in terms of simplicity.

Modulating Aggregation Behavior by Ternary Strategies for Efficient and Stable Thick-Film Organic Solar Cells.

Functional third components targeted to improve a specific property of organic solar cells is an effective strategy. However, introducing a third component to simultaneously improve efficiency and stability and achieve good performance in thick-film devices has rarely been reported. Herein, low diffusion third components IDCN and ID2CN are reported to achieve a power conversion efficiency (PCE)of 18.08% and a high short-circuit current (J SC)of 27.82mAcm-2, one of the highest values based on PM6:Y6. They increase light harvesting in the range of 400-500nm while enhancing energy transfer via Förster resonance energy transfer (FRET). A tightly ordered molecular arrangement is achieved by modulating the preaggregation and film formation kinetics of Y6, which enhance exciton dissociation and charge transport. Moreover, the low-diffusion third component can effectively restrict the diffusion of Y6 to improve the morphology stability, and the T90 lifetime is increased from 689 to 1545h. In 300nm thick-film devices, PM6:ID2CN:Y6 achieves a PCE of 15.01%, much higher than PM6:Y6's 12.83%, demonstrating the great potential of ID2CN in thick-film devices.

A Novel Upside-Down Thermal Annealing Method Toward High-Quality Active Layers Enables Organic Solar Cells with Efficiency Approaching 20.

The emerging non-fullerene acceptors with low voltage losses have pushed the power conversion efficiency of organic solar cells (OSCs) to ≈20% with auxiliary morphology optimization. Thermal annealing (TA), as the most widely adopted post-treatment method, has been playing an essential role in realizing the potential of various material systems. However, the procedure of TA, i.e., the way that TA is performed, is almost identical among thousands of OSC papers since ≈30 years ago other than changes in temperature and annealing time. Herein, a reverse thermal annealing (RTA) technique is developed, which can enhance the dielectric constant of active layer film, thereby producing a smaller Coulomb capture radius (14.93 nm), meanwhile, forming a moderate nano-scale phase aggregation and a more favorable face-on molecular stacking orientation. Thus, this method can reduce the decline in open circuit voltage of the conventional TA method by achieving decreased radiative (0.334 eV) and non-radiative (0.215 eV) recombination loss. The power conversion efficiency of the RTA PM6:L8-BO-X device increases to 19.91% (certified 19.42%) compared to the TA device (18.98%). It is shown that this method exhibits a superb universality in 4 other material systems, revealing its dramatic potential to be employed in a wide range of OSCs.

Machine Learning Approaches for Predicting Power Conversion Efficiency in Organic Solar Cells: A Comprehensive Review

Organic solar cells (OSCs), renowned for their lightweight, cost efficiency, and adaptability nature, stand out as a promising option for developing renewable energy. Improving the power conversion efficiency (PCE) of OSCs is essential, and researchers are delving into novel materials to achieve this. Traditional approaches are often laborious and costly, highlighting the need for predictive modeling. Machine learning (ML), especially via quantitative structure–property relationship (QSPR) models, is streamlining material development, with a goal to exceed a 20% PCE. In this review, the application of ML in OSCs is explored, and recent studies utilizing ML approaches for PCE prediction are reviewed, encompassing empirical functions, ML algorithms, self‐devised ML frameworks, and the combination with automated experimental technologies. First, the benefits of ML in predicting PCE for OSCs are addressed. Second, the development of high‐efficiency predictive models for both fullerene and nonfullerene acceptors is delved into. The impact of various ML algorithm models on PCE prediction is then assessed, taking into account the construction of predictive models. Moreover, the quality of databases and the selection of descriptors are considered. Databases and descriptors based on experimental studies are further categorized. Finally, prospects for the future development of OSCs are proposed.

Achieving 19.72% Efficiency in Ternary Organic Solar Cells through Electrostatic Potential‐Driven Morphology Control

AbstractThe ternary strategy has proven effective in enhancing the performance of organic solar cells (OSCs), yet identifying the optimal third component remains a challenge due to the lack of theoretical frameworks for predicting its impact based on molecular structure. This study addresses this challenge by proposing quantitative parameters derived from molecular surface electrostatic potential (ESP) as criteria for selecting ternary components. The asymmetric acceptor BTP‐OS, which exhibits a lower total average ESP and larger molecular polarization index relative to the host acceptor, is introduced into the PM6:L8‐BO system. This incorporation led to weakened ESP‐induced intermolecular interactions and reduce miscibility with donor polymer, resulting in an optimized multi‐scale morphology of the ternary blend. Consequently, the ternary device achieved an efficiency of 19.72%, one of the highest values for PM6:L8‐BO‐based ternary devices, with enhanced exciton dissociation and charge collection, lower energy disorder, and minimized non‐radiative energy losses. Comparable efficiency improvements are also verified in PM6:BTP‐eC9 and D18:N3 systems, demonstrating the broad applicability of the proposed approach. This study not only provides a practical and effective principle for selecting ternary components but also establishes a broader framework for optimizing ternary OSCs, potentially advancing the development of more efficient OSCs across diverse material systems.

Gradual Optimization of Molecular Aggregation and Stacking Enables Over 19% Efficiency in Binary Organic Solar Cells.

Volatile solid additive is an effective and simple strategy for morphology control in organic solar cells (OSCs). The development of environmentally friendly new additives which can also be easily removed without high-temperature thermal annealing treatment is currently a trend, and the working mechanism needs to be further studied. Herein, a highly volatile and non-halogenated solid additive 1-benzothiophene (BBT) is reported to regulate molecular aggregation and stacking of active layer components. According to the film-forming kinetics process, a momentary intermediate phase is formed during spin-coating, which slows down the film-forming process and leads to more ordered molecular stacking in the solid film after introducing solid additive BBT. Subsequently, after solvent vapor annealing (SVA) further treatment, the resultant blend films exhibit a tighter and more ordered molecular stacking. Consequently, the synergistic effect of solid additive BBT and SVA treatment can effectively control morphology of active layer and improve carrier transport characteristics, thereby enhancing the performance of OSCs. Finally, in D18-Cl:N3 system, an impressive power conversion efficiency of 19.53% is achieved. The work demonstrates that the combination of highly volatile solid additives and SVA treatment is an effective morphology control strategy, guiding the development of efficient OSCs.

Constructing Multiscale Fibrous Morphology to Achieve 20% Efficiency Organic Solar Cells by Mixing High and Low Molecular Weight D18.

This study underscores the significance of precisely manipulating the morphology of the active layer in organic solar cells (OSCs). By blending polymer donors of D18 with varying molecular weights, a multiscale interpenetrating fiber network structure within the active layer is successfully created. The introduction of 10% low molecular weight D18 (LW-D18) into high molecular weight D18 (HW-D18) produces MIX-D18, which exhibits an extended exciton diffusion distance and orderly molecular stacking. Devices utilizing MIX-D18 demonstrate superior electron and hole transport, improves exciton dissociation, enhances charge collection efficiency, and reduces trap-assisted recombination compared to the other two materials. Through the use of the nonfullerene acceptor L8-BO, a remarkable power conversion efficiency (PCE) of 20.0% is achieved. This methodology, which integrates the favorable attributes of high and low molecular weight polymers, opens a new avenue for enhancing the performance of OSCs.