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The power conversion efficiency of organic photovoltaics (OPVs) has witnessed continuous breakthroughs in the past few years, mostly benefiting from the extensive use of a facile ternary blending strategy by blending the host polymer donor:small molecule acceptor mixture with a second small molecule acceptor. Nevertheless, this rather general strategy used in the well‐known PM6 systems fails in constructing high‐performance P3HT‐based ternary OPVs. As a result, the efficiencies of all resulting ternary blends based on a benchmark host P3HT:ZY‐4Cl and a second acceptor are no more than 8%. Employing the mutual miscibility of the binary blends as a guide to screen the second acceptor, here we were able to break the longstanding 10%‐efficiency barrier of ternary OPVs based on P3HT and dual nonfullerene acceptors. With this rational approach, we identified a multifunctional small molecule acceptor BTP‐2Br to simultaneously improve the photovoltaic performance in both P3HT and PM6‐based ternary OPVs. Attractively, the P3HT:ZY‐4Cl:BTP‐2Br ternary blend exhibited a record‐breaking efficiency of 11.41% for P3HT‐based OPVs. This is the first‐ever report that over 11% efficiency is achieved for P3HT‐based ternary OPVs. Importantly, the study helps the community to rely less on trial‐and‐error methods for constructing ternary solar cells.

The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 (http://cgmartini.nl), with an improved interaction balance, new bead types and expanded ability to include specific interactions representing, for example, hydrogen bonding and electronic polarizability. The updated model allows more accurate predictions of molecular packing and interactions in general, which is exemplified with a vast and diverse set of applications, ranging from oil/water partitioning and miscibility data to complex molecular systems, involving protein–protein and protein–lipid interactions and material science applications as ionic liquids and aedamers.Martini 3.0 is an updated and reparametrized force field for coarse-grained molecular dynamics simulations with new bead types and an expanded ability to model molecular packing and interactions.

Designing polymer structures and polymer blends opens opportunities to improve the performance of plastics. Blending poly(butylene adipate-co-terephthalate) (PBAT) and polylactide (PLA) is a cost-effective approach to achieve a new sustainable material with complementary properties. This study aimed to predict the theoretical miscibility of PBAT/PLA blends at the molecular level. First, the basic properties and the structure of PBAT and PLA are introduced, respectively. Second, using the group contribution methods of van Krevelen and Hoy, the Hansen and Hildebrand solubility parameters of PBAT and PLA were calculated, and the effect of the molar ratio of the monomers in PBAT on the miscibility with PLA was predicted. Third, the dependence of the molecular weight on the blend miscibility was simulated using the solubility parameters and Flory–Huggins theory. Next, the glass transition temperature of miscible PBAT/PLA blends, estimated using the Fox equation, is shown graphically. According to the prediction and simulation, the blends with a number-average molecular weight of 30 kg/mol for each component were thermodynamically miscible at 296 K and 463 K with the possibility of spinodal decomposition at 296 K and 30% volume fraction of PBAT. This study contributes to the strategic synthesis of PBAT and the development of miscible PBAT/PLA blends.

Deposition of perovskite films by antisolvent engineering is a highly common method employed in perovskite photovoltaics research. Herein, we report on a general method that allows for the fabrication of highly efficient perovskite solar cells by any antisolvent via manipulation of the antisolvent application rate. Through detailed structural, compositional, and microstructural characterization of perovskite layers fabricated by 14 different antisolvents, we identify two key factors that influence the quality of the perovskite layer: the solubility of the organic precursors in the antisolvent and its miscibility with the host solvent(s) of the perovskite precursor solution, which combine to produce rate-dependent behavior during the antisolvent application step. Leveraging this, we produce devices with power conversion efficiencies (PCEs) that exceed 21% using a wide range of antisolvents. Moreover, we demonstrate that employing the optimal antisolvent application procedure allows for highly efficient solar cells to be fabricated from a broad range of precursor stoichiometries. Thin film deposition of perovskites by antisolvent engineering is commonly used, but the effect of processing parameters is not yet fully understood. Here, the authors identify two key factors that influence the film quality through a detailed structural and compositional study of perovskite layers fabricated by 14 different antisolvents.

For organic solar cells to be competitive, the light-absorbing molecules should simultaneously satisfy multiple key requirements, including weak-absorption charge transfer state, high dielectric constant, suitable surface energy, proper crystallinity, etc. However, the systematic design rule in molecules to achieve the abovementioned goals is rarely studied. In this work, guided by theoretical calculation, we present a rational design of non-fullerene acceptor o-BTP-eC9, with distinct photoelectric properties compared to benchmark BTP-eC9. o-BTP-eC9 based device has uplifted charge transfer state, therefore significantly reducing the energy loss by 41 meV and showing excellent power conversion efficiency of 18.7%. Moreover, the new guest acceptor o-BTP-eC9 has excellent miscibility, crystallinity, and energy level compatibility with BTP-eC9, which enables an efficiency of 19.9% (19.5% certified) in PM6:BTP-C9:o-BTP-eC9 based ternary system with enhanced operational stability. A systematic design of light-absorbing molecules is challenging for them to satisfy multiple key requirements for efficient solar cell application. Here, the authors optimize halogen substitution position in terminal groups of acceptors for realizing ternary cells with efficiency approaching 20%.

Developing a high-performance donor polymer is critical for achieving efficient non-fullerene organic solar cells (OSCs). Currently, most high-efficiency OSCs are based on a donor polymer named PM6, unfortunately, whose performance is highly sensitive to its molecular weight and thus has significant batch-to-batch variations. Here we report a donor polymer (named PM1) based on a random ternary polymerization strategy that enables highly efficient non-fullerene OSCs with efficiencies reaching 17.6%. Importantly, the PM1 polymer exhibits excellent batch-to-batch reproducibility. By including 20% of a weak electron-withdrawing thiophene-thiazolothiazole (TTz) into the PM6 polymer backbone, the resulting polymer (PM1) can maintain the positive effects (such as downshifted energy level and reduced miscibility) while minimize the negative ones (including reduced temperature-dependent aggregation property). With higher performance and greater synthesis reproducibility, the PM1 polymer has the promise to become the work-horse material for the non-fullerene OSC community. The batch reproducibility of polymer donor materials limits the performance of polymer solar cells. Here Wu et al. develop a polymer donor PM1 by random terpolymerization strategy with a high efficiency of 17.6% in the device and excellent batch-to-batch reproducibility.

Smart membranes with responsive wettability show promise for controllably separating oil/water mixtures, including immiscible oil-water mixtures and surfactant-stabilized oil/water emulsions. However, the membranes are challenged by unsatisfactory external stimuli, inadequate wettability responsiveness, difficulty in scalability and poor self-cleaning performance. Here, we develop a capillary force-driven confinement self-assembling strategy to construct a scalable and stable CO 2 -responsive membrane for the smart separation of various oil/water systems. In this process, the CO 2 -responsive copolymer can homogeneously adhere to the membrane surface by manipulating the capillary force, generating a membrane with a large area up to 3600 cm 2 and excellent switching wettability between high hydrophobicity/underwater superoleophilicity and superhydrophilicity/underwater superoleophobicity under CO 2 /N 2 stimulation. The membrane can be applied to various oil/water systems, including immiscible mixtures, surfactant-stabilized emulsions, multiphase emulsions and pollutant-containing emulsions, demonstrating high separation efficiency (>99.9%), recyclability, and self-cleaning performance. Due to robust separation properties coupled with the excellent scalability, the membrane shows great implications for smart liquid separation. Smart membranes with responsive wettability show promise for controllably separating oil/water mixtures but it remains challenging to fabricate responsive and stable scalable membranes. Here, the authors develop a capillary force-driven self-assembling strategy to construct a scalable and stable CO2-responsive membrane for the smart separation of various oil/water systems.

Liquid electrolytes in batteries are typically treated as macroscopically homogeneous ionic transport media despite having a complex chemical composition and atomistic solvation structures, leaving a knowledge gap of the microstructural characteristics. Here, we reveal a unique micelle-like structure in a localized high-concentration electrolyte, in which the solvent acts as a surfactant between an insoluble salt in a diluent. The miscibility of the solvent with the diluent and simultaneous solubility of the salt results in a micelle-like structure with a smeared interface and an increased salt concentration at the centre of the salt–solvent clusters that extends the salt solubility. These intermingling miscibility effects have temperature dependencies, wherein a typical localized high-concentration electrolyte peaks in localized cluster salt concentration near room temperature and is used to form a stable solid–electrolyte interphase on a Li metal anode. These findings serve as a guide to predicting a stable ternary phase diagram and connecting the electrolyte microstructure with electrolyte formulation and formation protocols of solid–electrolyte interphases for enhanced battery cyclability.Liquid electrolytes in batteries are considered to be macroscopically homogeneous ionic transport media despite having a complex chemical composition and atomistic solvation structures. A micelle-like structure in a localized high-concentration electrolyte for which the solvent acts as a surfactant is reported.

In view of large amounts of associated gas produced in the late stage of CO2 flooding in Jilin Oilfield, the production characteristics of CO2 flooding associated gas are divided into three stages (i.e. before injected gas breakthrough, during injected gas breakthrough and after injected gas breakthrough). Taking the formation pressure as miscibility evaluation criteria, the miscibility effect of the produced CO2 flooding associated gas from different stages is evaluated. According to different gas production stages, the reinjection method of mixing the associated gas with pure CO2 under different proportions is proposed to elevate the utilization degree of the produced associated gas. The results indicate that at the very beginning of gas production process, produced gas is mainly composed of CH4 (58%) and C2~C3 (29%) with small amounts of N2 and C4~C6. During this stage, the associated gas can not reach miscibility with the oil by direct reinjection. It needs to be mixed with pure CO2, also the blending ratio of the associated gas should not exceed 6%. In the second stage, the compositions of the produced gas are mainly CH4 (34%) and CO2 (40%). During this stage, the blending ratio should not exceed 11%. At the final stage, the main composition of the produced gas is CO2 (94%). The associated gas can be directly reinjected into the reservoir during this stage.

Although the multiple-component (MC) blend strategy has been frequently used as a very effective way to improve the performance of organic solar cells (OSCs), there is a strong need to understand the fundamental working mechanism and material selection rule for achieving optimal MC-OSCs. Here we present the ‘dilution effect’ as the mechanism for MC-OSCs, where two highly miscible components are molecularly intermixed. Contrary to the aggregation-induced non-radiative decay, the dilution effect enables higher luminescence quantum efficiencies and open-circuit voltages (VOC) in MC-OSCs via suppressed electron–vibration coupling. The continuously broadened bandgap together with reduced electron–vibration coupling also explains the composition-dependent VOC in ternary blends well. Moreover, we show that electrons can transfer between different acceptors, depending on the energy offset between them, which contributes to the largely unperturbed charge transport and high fill factors in MC-OSCs. The discovery of the dilution effect enables the demonstration of a high power conversion efficiency of 18.31% in an MC-OSC.A strategy based on molecular intermixing of two highly miscible components enables the demonstration of high efficiency multiple-component organic solar cells.