To enhance the flame retardancy of polyamide 6 (PA 6) while retaining its processability and mechanical properties, we developed a synergistic strategy that combines reactive copolymerization with additive incorporation. A rationally designed, lactam-based phosphonamide comonomer (DCL) ensured compatibility and reactivity during the ring-opening polymerization of caprolactam and was copolymerized in the presence of melamine cyanurate (MCA). The resulting PA 6-DCL/MCA composites exhibited outstanding fire performance: PA 6 with 5 wt % DCL alone achieved an LOI of 29.5%, whereas the hybrid composite containing 3 wt % DCL and 2 wt % MCA reached a UL94 V-0 rating with nonflaming melt dripping. The flame-retardant mechanisms were systematically investigated using techniques including cone calorimetry, with a focus on the pyrolysis process and charring behavior. The flame suppression is attributed to a synergistic effect involving dominant gas-phase inhibition combined with condensed-phase action, the latter comprising heat dissipation through controlled melt flow and the formation of a slightly reinforced char barrier. This design provides a scalable, halogen-free route to high-performance PA 6, where the flame-retardant efficacy arises from the interplay of molecular structure and additive synergy.

Sulfur and organosulfur compounds have emerged as promising cathode materials for high-energy lithium batteries owing to their high theoretical capacity, element abundance, and structural tunability. However, either sulfur or organosulfur cathodes are difficult to achieve high capacity, cyclic stability, and redox kinetics at the same time due to the inherent trade-off. Herein, a solid-liquid biphasic organochalcogen cathode is reported to overcome this performance trade-off for next-generation lithium batteries. The in situ cross-linking between an organosulfur polymer and a small-molecule organoselenium compound significantly enhances the charge transfer and ionic diffusion kinetics of the cathode. Furthermore, the small-molecule organoselenium and intermediate products could be immobilized within the cathode by the polar functional groups within organosulfur, resulting in cycling performance that is markedly superior to that of cathodes using inorganic elemental sulfur paired with organoselenium. Benefiting from this complementary effect, the optimized cathode exhibited ultra-long cycle stability with capacity decay of 0.017% per cycle within 2,700 cycles at 2 mA g-1 and achieved a high areal capacity of 11.36 mAh cm-2. This biphasic organochalcogen cathode strategy provides a rational design paradigm for lithium-organic batteries with excellent comprehensive performance.

Batteries based on redox chemistry, such as lithium-sulfur and lithium-oxygen, can store more energy than conventional lithium-ion batteries. However, their chemical reactions are limited by sluggish and incomplete conversion reactions, especially those involving insulating solid intermediates (for example, Li2S2 and Li2O2), in which electrocatalysts play a decisive role. Here, through a large-scale theoretical analysis, we propose an electronic property criterion that emphasizes the efficient conduction of ions and electrons as essential for high catalytic activity. Guided by this insight, we have designed a CoCo dual-atom catalyst that accelerates the conversion of solid insulating Li2S2 and Li2O2 intermediates by effective orbital coupling, making these intermediates conductive and catalytically active. This strategy enables the fabrication of high-energy lithium-sulfur pouch cells at the ampere hour scale, achieving a specific energy of 459 Wh kg-1. Our results extend the fundamental understanding of rate-determining solid-phase reactions in redox chemistry and provide principles for the design of electrocatalysts for use in energy storage systems.

Lithium sulfur batteries (LSBs) have good potential for next-generation energy storage. However, the practical applications of LSBs are restricted by the shuttle effect of lithium polysulfides (LiPS) and uncontrollable Li deposition. Here, potassium selenocyanate (KSeCN) is proposed as a bifunctional electrolyte additive that can synergistically regulate both the cathode and anode electrode/electrolyte interfaces due to its optimum orbital energy levels. KSeCN promotes the formation of a hybrid organic-inorganic cathode electrolyte interface (CEI) that inhibits the shuttle effect and boosts the conversion kinetics of LiPS by incorporating conductive Se into the cathode. In addition, KSeCN facilitates an inorganic-rich solid electrolyte interface (SEI), promoting homogeneous Li+ deposition and suppressing Li dendrite growth. Correspondingly, LSBs with the KSeCN additive achieve a low capacity decay rate of 0.05% per cycle over 1000 cycles with excellent stability, while Li-S pouch cells operate stably for ∼140 cycles. Li‖Li symmetric cells exhibit a reduced hysteresis voltage and extended cycling lifetimes exceeding 1000 h. This work demonstrates a promising additive design strategy for high-performance LSBs through interfacial chemistry engineering.

This study aims to improve the melt-spinning processability of polyamide 66 (PA 66) by trace blending with a dendritic polyamide-amine (701A) flow promoter. The strategy addresses inherent limitations of PA 66, including its narrow processing window and poor melt stability during spinning, which result from high melt viscosity and susceptibility to thermal degradation. The strategy is also enhancing fiber mechanical properties. Fourier transform infrared (FTIR) and nuclear magnetic resonance (NMR) analyses confirmed that incorporation of 701A did not alter the chemical structure of PA 66. Melt flow measurements showed that 701A increased the melt flow index by a factor of 2.3-2.5. Rheological studies revealed that 701A reduced the apparent viscosity, structural viscosity index, and viscous-flow activation energy under low shear rate, while increasing the non-Newtonian index and viscous-flow activation energy under high shear rate. These effects are attributed to the dendritic architecture and abundant terminal groups of 701A. Nonisothermal crystallization kinetics further indicated that 701A promoted heterogeneous nucleation, elevating both the crystallization temperature and rate of PA 66/701A blends. Notably, microblending with only 0.2 wt % 701A enabled the production of PA 66 monofilaments with superior mechanical performance at reduced processing temperatures.

System designs are essential to harness the power of solid oxide electrolysis cell (SOEC) for clean and efficient hydrogen production. A detailed design of an independent and stably operating SOEC system model is proposed, encompassing the stack, steam generator (SG), heat exchangers (HEs), circulation diverter, heater, and H2/H2O separator. The system model uses accurate descriptions of the stack, SG and HE. The stack is ensured to operate at desirable conditions by the heaters and circulation diverter. A 3D multiphysics model is used to generate a chart of stack performance under diverse conditions, yielding a high-accuracy 0D stack model suitable for system modeling. The SG and HEs are tailored with detailed internal structures and specific parameters to meet the operational requirements. The SG model calculates the pressure, saturation temperature and heat load to enable precise system control. The HE model features a real-time computed heat transfer coefficient. Three HEs are employed to enhance system efficiency and simplify thermal management. Numerical examples are presented for a design of 20 kW-scale system, showing the high heating value based system electrical efficiency is about 90 % for various conditions. Heating the SG by waste heat can increase the system electrical efficiency to 110 % under realistic operating conditions.

Leveraging the property of moisture-sensitive foods that generate freely mobile ions during hygroscopic deliquescence, an edible electronic device is proposed in which ion migration enables both self-powering and antimicrobial preservation. When applied as a fruit coating, this edible electronic device generates directed mobile ions through moisture absorption, exhibiting a peak power density of 0.45 mW cm-3 and enabling direct energy supply for environmental sensors. Simultaneously, the numerous migrating ions interact electrostatically with the negatively charged bacterial membrane, disrupting the charge balance of the membrane, thereby maintaining effective antimicrobial preservation. This self-powered, fully edible, water-soluble coating extends the shelf life of fruit by 2.5 to 3.4 times, enabling the development of an intelligent food logistics system for fruit preservation and real-time monitoring. Furthermore, only 1.5 g of low-cost food-based materials, when assembled into an edible circuit, can output up to 81.5 V of direct current or a peak current of 6.1 mA in air. This self-powered edible electronic concept offers a completely green solution to energy challenges in fields such as food safety monitoring and ingestible medical devices.

The properties of peptides are determined by their conformations, making it essential to obtain their conformational ensembles; however, this presents significant challenges when using computational methods. In this study, we propose a novel method for searching low-energy conformational ensembles of peptides. This method integrates a splicing-based approach with a workflow that employs potential energy surfaces of varying accuracy and computational efficiency. When applied to a set of short peptides, our method demonstrates superior capability in identifying low-energy structures and generating structurally diverse ensembles compared to existing state-of-the-art techniques. The results suggest that this method is a reliable and efficient tool for obtaining low-energy conformational ensembles of peptides, which is useful for many peptide researches.

The burgeoning development of solid‐state electrolytes significantly improves the safty and practicality of solid‐state lithium–sulfur batteries (LSBs). Based on mature solid‐state electrolytes, challenges in electrochemical performance remain, largely due to complex reactions and interfacial issues on both sulfur and lithium sides. This review comprehensively examines the fundamental challenges and recent progress from the perspectives of reaction and interface. From a reaction standpoint, it discusses the trade‐off between shuttle effect and redox kinetics, as well as the irreversible accumulation of kinetically dead sulfur across different electrolytes, which were often overlooked. Regarding interfaces, it discusses the formation of interfacial dead sulfur within the cathode and strategies to enhance the across‐interface transport of charge carriers. It also analyzes mechanisms underlying lithium dendrite formation and interface failure, along with current solutions to mitigate dead lithium and extend lithium anode lifespan. In pursuit of meeting commercial demands for solid‐state LSBs, engineering parameters targeting high energy density are specified by formulations, and differences in parameter design principles among different electrolyte systems are systematically analyzed. Finally, to bridge fundamental insights with practical applications, future research directions are proposed, emphasizing reaction and interface engineering for high‐performance solid‐state LSBs.

Solid-liquid contact electrification is a widespread interface phenomenon in nature. Recent research and theory demonstrate that electron transfer during this process holds the potential to initiate interfacial chemical reactions. Here, we design a dual-functional device for generation of H2O2 and energy. Interfacial chemical reactions and solid-liquid contact charging occur simultaneously during the liquid phase flow process. Specifically, electron transfer at the solid-liquid interface induces the formation of hydroxyl radicals (·OH) in the liquid phase, leading to spontaneous generation of H2O2. The transfer of charges at the solid-liquid interface is accompanied by energy transfer. By designing an external electrode structure, we can effectively harvest the energy from the flowing liquid phase, yielding an output power of up to 5.8 kW/m3 for water. During the flow of water, the transfer of electrons between the solid and liquid phases leads to simultaneous interfacial chemical reactions and solid-liquid contact charging.

Shape memory alloy (SMA) fibers demonstrate exceptional contraction strains and substantial load capacities, positioning them as highly promising actuators for advanced robotic hands and microrobotic systems. However, the practical deployment of SMAs has been critically hindered by their inherently slow thermal responsiveness and reliance on wired electrical connections. Here, we introduce a dual-responsive SMA technology that addresses these limitations by leveraging a novel surface modification comprising polydopamine integrated with silver nanowires. The modified SMA fibers exhibited an approximately 3.2 times faster actuation speed than unmodified fibers under near-infrared laser irradiation, with a 35% improvement in electrothermal responsiveness. These wireless, fast-responding actuators have been effectively integrated into microrobotic crawlers, demonstrating great potential for lightweight autonomous lunar rover applications. Fabricated via straightforward in-situ polymerisation methods, our dual-responsive SMA approach offers a compelling pathway toward the development of energy-efficient aerospace systems capable of operating reliably under extreme environmental conditions.

Sulfur conversion reactions are the foundation of lithium-sulfur batteries but usually possess sluggish kinetics during practical battery operation. Herein, a high-entropy single-atom catalyst (HESAC) is synthesized for this process. In contrast to conventional dual-atom catalysts that form metal-metal bonds, the center metal atoms in HESAC are not bonded but exhibit long-range interactions at a sub-nanometer distance (<9 Å). The synergistic effect between the long-range interactions and entropy changes enables the regulation of d- and π-electron states. This alteration in the electronic structure improves the adsorption and electronic conductivity of intermediate polysulfides, thereby accelerating their conversion kinetics. Consequently, this leads to a significant enhancement in specific capacities by ≈40% at high rates compared to single-atom catalysts. The resulting lithium-sulfur battery with HESAC demonstrates a remarkable areal capacity of 3.4 mAh cm-2 at 10 C. These findings provide valuable insights into the design principle of metal atom catalysts for electrochemical reactions.

The use of lithium-sulfur (Li-S) batteries is limited by sulfur redox reactions involving multi-phase transformations, especially at low-temperatures. To address this issue, we report a material (FCNS@NCFs) consisting of nitrogen-doped carbon fibers loaded with a ternary metal sulfide ((Fe, Co, Ni)(9)S-8) for use as the sulfur host in Li-S batteries. This material was prepared using transfer blot filter paper as the carbon precursor, thiourea as the source of nitrogen and sulfur, and FeCl3 center dot 6H(2)O, CoCl2 center dot 6H(2)O and NiCl2 center dot 6H(2)O as the metal ion sources. It was synthesized by an impregnation method followed by calcination. The nitrogen doping significantly increased the conductivity of the host, and the metal sulfides have excellent catalytic activities. Theoretical calculations, and adsorption and deposition experiments show that active sites on the surface of FCNS@NCFs selectively adsorb polysulfides, facilitate rapid adsorption and conversion, prevent cathode passivation and inhibit the polysulfide shuttling. The FCNS@NCFs used as the sulfur host has excellent electrochemical properties. Its initial discharge capacity is 1639.0 mAh g(-1) at 0.2 C and room temperature, and it remains a capacity of 1255.1 mAh g(-1) after 100 cycles. At -20 degrees C, it has an initial discharge capacity of 1578.5 mAh g(-1) at 0.2 C, with a capacity of 867.5 mAh g(-1) after 100 cycles. Its excellent performance at both ambient and low temperatures suggests a new way to produce high-performance low-temperature Li-S batteries.

Two-dimensional covalent organic frameworks (COFs) are promising for electrochromic applications, yet most current systems are limited to microporous, monopolar, imine-linked COFs with inefficient ion utilization and electron transport. Here, we report a mesoporous, hexagonal bipolar COF constructed from triphenylamine (donor) and naphthalene dianhydride (acceptor) units, forming a donor-acceptor (D-A) heterostructure with dual redox-active sites. This architecture facilitates efficient bidirectional ion transport and intramolecular charge transfer, leading to reversible coupling of redox units 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA/NTCDA)·- and N4,N4-bis[4'-amino-(1,1'-biphenyl)-4-yl]-(1,1'-biphenyl)-4,4'-diamine (TAAB/TAAB+). The resulting COF exhibits multicolor electrochromism (brown-pale-blue-green transitions) with high optical contrasts (e.g., 80% at 850 nanometers and 53% at 485 nanometers) and excellent stability (>91% retention after 500 cycles). Symmetric devices based on this COF show broad spectral tunability (400 to 1100 nanometers) and outstanding cycling stability (<1.5% decay after 1000 cycles), establishing a performance benchmark for COF-based electrochromic systems.

The development of practical solid-state batteries is hindered by their high interfacial resistance and sluggish diffusion properties, primarily due to the heterogeneous interfaces between the solid electrolyte and the electrode. Here, an all-in-one polymer electrode-electrolyte material (P(EO2-S3)) is presented, which covalently integrates ethylene oxide groups for Li+ transport and trisulfide linkages for redox-active sites. This material exhibits favorable ionic conductivity as a solid electrolyte, while its reversible redox activity activates below 2.5 V versus Li⁺/Li, delivering a high reversible capacity of 491.7 mAh g-1. Leveraging P(EO2-S3) as both cathode and electrolyte, integrated cells (P(EO2-S3)@CP|P(EO2-S3)|Li) exhibit accelerated electrochemical kinetics while maintaining cycling stability in flexible devices over 20 000 bending cycles. As a redox-active catholyte of LiFePO4, P(EO2-S3) increases the capacity of the composite cathode to 358.3 mAh g-1 based on LiFePO4 mass, achieving an electrode energy density of 585.9 Wh kg-1. This work establishes a new paradigm for multifunctional polymers that integrates ion transport and storage, offering a versatile platform for flexible, high-energy solid-state batteries.

Predicting the binding poses of docking with an accurate estimation of binding energies is highly important but very challenging in computational drug design. A quantum mechanics (QM) calculation-based docking approach considering multiple conformations and orientations of the ligand is introduced here to tackle the problem. This QM docking consists of three steps: generating an ensemble of binding poses with a conventional docking simulation, computing the binding energies with self-consistent charge density functional theory tightly binding with dispersion correction (DFTB-D) to selecting the 10 top binding modes, and optimizing the selected binding mode structures using the ONIOM(DFTB:PM7) technique to determine the binding poses. The ONIOM(DFTB-D:PM6) docking approach is tested on 121 ligand-receptor biocomplexes with the crystal structures obtained from the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB). The result shows that the new method is highly satisfactory for the accurate prediction of the binding poses. The new docking method should be beneficial to structure-based drug design.

The commonly used "catalyst on carbon" architecture as a sulfur host is difficult to jointly achieve high gravimetric and volumetric energy densities for lithium-sulfur (Li-S) batteries due to the contradiction between low tap density/poor catalytic activity of carbon and the easy agglomeration of metal-based compounds without carbon. Here, a non-carbon-dominated catalytic architecture using macroporous nickel/cobalt phosphide (NiCoP) is reported as the sulfur host for Li-S batteries. The macroporous framework, which accommodates a large amount of sulfur, can accelerate the electrochemical reaction kinetics by accelerated e- transport, Li+ diffusion, and superior adsorption and catalytic activity of inherent Ni2P/CoP heterostructures. The high tap density (0.45 g cm(-3)) and mechanically hard features contribute to the excellent structural and physicochemical stability of the NiCoP@S electrode after the pressing and rolling process. These features enable the Li-S coin cell to exhibit excellent electrochemical performance under conditions of high sulfur loading (10.2 mg cm(-2)) and lean electrolyte (electrolyte/sulfur of 2 mu L mg(-1)). Inspiringly, the assembled pouch cell can simultaneously deliver a gravimetric energy density of 345.2 Wh kg(-1) and an impressive volumetric energy density of 952.7 Wh L-1 based on the entire device configuration.

Constitutional isomerism of covalent organic frameworks (COFs) has recently garnered attention for its potential applications in advanced photoelectrochemical fields. However, there have been no reports of materials in which half of the linkages between building blocks of the COFs are isomerized (so-called semi-isomerism) as a means of modulating the physicochemical properties of COFs. In this work, semi-isomeric pyrene-based COFs with the same topology were synthesized with imine linkages, namely, Py-Py and SI-Py COFs. Both COFs featured different imine orientations in half of the linkages. Tiny atomic-level dislocations of the imine linkages led to different electron orbital contributions and bandgaps (2.39 vs 2.44 eV for the Py-Py COFs and SI-Py COFs, respectively), resulting in distinct electron transfer and photoelectrochemical properties. In comparison with the Py-Py COFs, the SI-Py COFs with imine semi-isomeric linkages exhibited superior electrochromic performance over the optical modulation range (35% vs 24%), response time (0.29/2.1 s vs 0.72/3.8 s), and coloration efficiency (180 vs 144 C cm(-2)).