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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.

The global plastics problem is a trifecta, greatly affecting environment, energy and climate 1 – 4 . Many innovative closed/open-loop plastics recycling or upcycling strategies have been proposed or developed 5 – 16 , addressing various aspects of the issues underpinning the achievement of a circular economy 17 – 19 . In this context, reusing mixed-plastics waste presents a particular challenge with no current effective closed-loop solution 20 . This is because such mixed plastics, especially polar/apolar polymer mixtures, are typically incompatible and phase separate, leading to materials with substantially inferior properties. To address this key barrier, here we introduce a new compatibilization strategy that installs dynamic crosslinkers into several classes of binary, ternary and postconsumer immiscible polymer mixtures in situ. Our combined experimental and modelling studies show that specifically designed classes of dynamic crosslinker can reactivate mixed-plastics chains, represented here by apolar polyolefins and polar polyesters, by compatibilizing them via dynamic formation of graft multiblock copolymers. The resulting in-situ-generated dynamic thermosets exhibit intrinsic reprocessability and enhanced tensile strength and creep resistance relative to virgin plastics. This approach avoids the need for de/reconstruction and thus potentially provides an alternative, facile route towards the recovery of the endowed energy and materials value of individual plastics. A new compatibilization strategy installs dynamic crosslinkers into several classes of binary, ternary and postconsumer immiscible polymer mixtures in situ, with the resulting compatibilized dynamic thermosets exhibiting intrinsic reprocessability and enhanced tensile strength and creep resistance.

Ice-rich planets are formed exterior to the water ice line and thus are expected to contain a substantial amount of ice. The high ice content leads to unique conditions in the interior, under which the structure of a planet is affected by ice interaction with other metals. We apply experimental data of ice–rock interaction at high pressure, and calculate detailed thermal evolution for possible interior configurations of ice-rich planets, in the mass range of super-Earth to Neptunes (5–15 M ⊕). We model the effect of migration inward on the ice-rich interior by including the influences of stellar flux and envelope mass loss. We find that ice and rock are expected to remain mixed, due to miscibility at high pressure, in substantial parts of the planetary interior for billions of years. We also find that the deep interior of planetary twins that have migrated to different distances from the star are usually similar, if no mass loss occurs. Significant mass loss results in separation of the water from the rock on the surface and emergence of a volatile atmosphere of less than 1% of the planet’s mass. The mass of the atmosphere of water/steam is limited by the ice–rock interaction. We conclude that when ice is abundant in planetary interiors the planet structure may differ significantly from the standard layered structure of a water shell on top of a rocky core. Similar structure is expected in both close-in and further-out planets.