SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4238-2
Infrared nonlinear optical (IR NLO) materials are critical for laser frequency conversion, yet their performance is often constrained by a trade-off between second harmonic generation (SHG) efficiency and laser-induced damage threshold (LIDT). Here, we report a new ternary diamond-like compound, AlGaS3, which successfully balances these competing demands. AlGaS3 crystallizes in a noncentrosymmetric structure composed of wide HOMO-LUMO gap [AlS4] tetrahedra and NLO-active [GaS4] tetrahedra. The compound exhibits a wide experimental optical band gap of approximately 3.38 eV, which is significantly larger than that of the benchmark AgGaS2 (AGS, ~2.70 eV). This wide band gap contributes to a high laser-induced damage threshold (LIDT) of approximately 6.0 times that of AGS, as determined by powder-based measurements. Notably, AlGaS3 also demonstrates a phase-matching SHG response of approximately 0.5 times that of AGS at a fundamental wavelength of 2.09 μm, with particle size-dependent behavior confirming phase-matchability. The combination of wide band gap, high LIDT, and moderate SHG response positions AlGaS3 as a promising candidate for high-power IR NLO applications. This work provides a viable strategy for designing IR NLO materials with enhanced laser damage resistance by incorporating wide-gap tetrahedral units.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4217-y
Rational design and construction of effective photocatalysts is a promising way for green and sustainable chemistry, but still a great challenge. Herein, taking triphenylamine-containing aldehydes as reactants, two covalent triazine frameworks (CTFs), tris(4-formylphenyl)amine (TPA)-CTF and tris(4-formylbiphenyl)amine (TBPA)-CTF, were rationally constructed. The strong electron donor property of the triphenylamine moieties derived from the initial reactants and the strong electron acceptor nature of the in-situ formed built-in triazine rings in CTFs endowed these robust triphenylamine-based CTFs with donor-acceptor (D-A) or donor-π-acceptor (D-π-A) structure features. Photocatalytic experiments revealed that, compared with the controlled phenyl analogue CTF, 1,3,5-tri(p-formylphenyl)benzene (TFPB)-CTF, both of the triphenylamine-based CTFs exhibited superior photocatalytic activity not only in photocatalytic hydrogen peroxide generation, but also in photocatalytic aerobic oxidations of diverse organic substrates. Theoretical studies further confirmed that their enhanced photocatalytic performance should be attributed to their unique D-A or D-π-A features in the constructed triphenylamine-based CTFs. This work successfully demonstrated that rational selection of reactants containing electron donor moieties to construct CTFs should be a reliable way for the construction of effective photocatalysts for photocatalytic oxidation reactions.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3759-7
The inherent strength-ductility trade-off in materials science poses a significant challenge for structural applications. In composites, rational regulation of reinforcement structure and distribution can enhance both strength and ductility. Typical structures such as network, layered, and columnar have proven effective, yet issues like narrow size ranges, uneven distribution, and weak interfacial bonding limit performance. Here, we present a bioinspired multi-scale heterogeneous layered composite (MHLC) that achieves an optimal balance between strength and ductility. This heterogeneous layered structure comprises alternately stacked Cu-Ti layers and GNPs/Cu layers. The Cu-Ti layer contains uniformly distributed plate-like β-Cu4Ti intermetallic compounds, while the GNPs/Cu layer contains layered graphene nanoplatelets (GNPs). The size, distribution, and shape of reinforcements can be adjusted through heat treatment and cold rolling, enabling a balance between strength and ductility. Molecular dynamics simulation and finite element simulation were conducted to investigate the structural evolution of β-Cu4Ti and the influence of reinforcements on tensile properties, respectively. Results show that under tensile deformation, high-strain regions in the Cu-Ti layer are more numerous than in the GNPs/Cu layer. At an applied strain of 7.96%, fracture and deformation of reinforcements occur; at 23.98%, voids appear and develop into cracks. Cracks propagate along high-strain paths, forming a zigzag fracture pattern at the interface, indicating high interfacial bonding strength. The bending deformation of β-Cu4Ti suggests it possesses high hardness, strength, and excellent toughness. Our results provide important references for exploring multi-scale heterogeneous layered structures in enhancing strength and ductility of composites.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3625-3
Zirconia (ZrO2)-based fluorite ferroelectric materials are promising for nonvolatile memory and logic devices due to their CMOS compatibility and cost advantages over hafnium oxide (HfO2). However, the metastable nature of the ferroelectric orthorhombic phase (o-phase) hinders practical application. Here, we report the strain-mediated stabilization of the ferroelectric o-phase in ZrO2 thin films grown on niobium-doped strontium titanate (NSTO) substrates with different crystallographic orientations via chemical solution deposition. Systematic structural and ferroelectric characterization, combined with simulation, reveals that substrate orientation controls in-plane tensile strain, selectively promoting epitaxial growth of the o-phase. The ZrO2 film on NSTO(110) exhibits the highest o-phase content, achieving a remanent polarization (2Pr) of 92.64 μC/cm², which remains as high as 88.54 μC/cm² after resistive-capacitive (RC) delay calibration. The device shows endurance of approximately 10^7 cycles with favorable fatigue characteristics. X-ray absorption spectroscopy (XAS) further indicates distortion of Zr-O tetrahedra, providing microscopic insight into the ferroelectricity. This work presents a novel strategy for property tuning of ZrO2 films and supports their application in storage and logic devices.
New Carbon Materials•2026•DOI: 10.1016/S1872-5805(26)61072-4
Sodium-ion capacitors (SICs) typically feature a hybrid design, incorporating a battery-type anode that operates by faradaic redox reactions and an activated carbon cathode that functions through electrical double-layer (EDL) adsorption/desorption. However, the kinetics of faradaic processes are inherently slower than those of EDL processes, leading to a fundamental problem known as kinetic imbalance between the electrodes, which hinders the development of high-performance SICs. To address this, we synthesized composites of bismuth nanoparticles in N-doped carbon (Bi@NC) by a high-temperature sintering method. The resulting Bi@NC anode has a specific capacity of 300 mAh g−1 at 0.5 A g−1, an exceptional rate capability (maintaining performance at currents exceeding 75 A g−1), and outstanding cycling stability over 12,000 cycles. Three-electrode Swagelok cell tests revealed that this high-rate Bi@NC composite effectively decreases the kinetic gap with the activated carbon cathode, as shown by an analysis of their respective potential swing windows (vs. Na/Na+). This enables the fabricated SIC to achieve a maximum energy density of 115 Wh kg−1, a peak power density of 45,535 W kg−1, and a long cycle life exceeding 8,000 cycles.
Chinese Journal of Environmental Engineering•2026•DOI: 10.12030/j.cjee.202507043
Municipal sludge with high moisture content and strong viscosity tends to form a dense crust during conventional rotary drum drying, reducing heat and mass transfer efficiency and prolonging drying time. This study proposes a thermal steel ball-enhanced rotary drum drying method that introduces high heat capacity, high thermal conductivity steel balls to achieve synergistic contact heat conduction and mechanical disturbance. An evaluation system incorporating dimensionless moisture ratio (MR), drying rate (DR), characteristic drying time (tdry), effective moisture diffusivity (Deff), and volumetric evaporation intensity (U) was established. Results show that compared with conventional drying, steel ball-enhanced drying increased maximum drying rate (DRmax) by 22.59%–41.19%, U by 38.06%–93.43%, and shortened tdry by 27.56%–48.30%, with more pronounced advantages under high load conditions. Deff was significantly higher throughout the process, with maximum increase up to 48.30%, indicating that ball rolling and collision effectively disrupt the crust and promote moisture migration. Mechanistic analysis reveals that the performance enhancement arises from the dual action of thermal-mechanical coupling and mechanical disturbance, which enhances local heat flux via contact conduction and dynamically renews the drying interface, shortening diffusion paths. This study elucidates the heat and mass transfer mechanisms of thermal steel ball-enhanced sludge drying, providing theoretical support and technical reference for efficient sludge volume reduction and dryer design optimization.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3891-5
Alloys with low thermal expansion are vital for precision components in aerospace, cryogenics, optics, and electronics, where dimensional stability under thermal cycling is essential. As these applications face harsher mechanical and thermal conditions, materials must offer not only low thermal expansion but also high strength and ductility. Achieving all three remains difficult, as their underlying microstructural requirements often conflict. Here, we present a medium-entropy alloy, Fe54Ni34Co6Ti3Al3 (at.%), designed to overcome this challenge through tailored precipitation engineering. The alloy forms coherent L12 nanoprecipitates that not only provide substantial precipitation strengthening but also modulate the composition of the face-centered cubic matrix. This tuning induces a low coefficient of thermal expansion and metastability in the matrix, enabling transformation-induced plasticity that enhances ductility and strain hardening. As a result, the alloy achieves a tensile yield strength of (1036±21) MPa, uniform elongation of 18.4%±1.1%, and a coefficient of thermal expansion of 5.8×10−6 °C−1. This work demonstrates a precipitation-driven pathway to reconcile strength, ductility, and thermal stability, offering a new strategy for designing multifunctional structural materials for advanced engineering environments.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3752-0
Counterfeit products have become widespread, necessitating advanced anti-counterfeiting solutions. Inspired by random wrinkles on peanut surfaces, we propose a biologically physical unclonable function (PUF) label with all-optical anti-counterfeiting. Using spatially selective plasma etching, a single-material random wrinkling strategy overcomes limitations of traditional double-layer wrinkling, such as low entropy and complex processes, enabling selective wrinkling in fixed areas. Innovative introduction of dual-modal luminescent micron defects in polydimethylsiloxane (PDMS) films enables orthogonal control and coordination of the frequency domain of unpredictable wrinkles at the mesoscopic scale, promoting transition from long-range anisotropy to short-range isotropy. Verification requires only simple optical equipment, providing cost-effectiveness and ease of detection. This anti-counterfeiting system incorporates three collaborative security mechanisms: (i) high-entropy PUF encoded wrinkle fingerprints, (ii) angle-sensitive Bragg-like structural colors, and (iii) spatially segmented dual-mode fluorescence. The label exhibits near-ideal cryptographic properties: uniformity close to 0.5, Shannon entropy close to 1, Hamming distance approximately 0.5, and robust environmental stability (similarity >84% after storage at 2°C and 50°C for 48 h). Plasma parameter modulation enables continuous tuning of wrinkle wavelength from 6.1 to 25.0 μm. The system's straightforward preparation, portable verification, and anti-spoofing capabilities position it for real-world applications in secure packaging, high-value product labels, and smart encryption, with potential extension to flexible electronics and wearable security systems.
Chinese Journal of Environmental Engineering•2026•DOI: 10.12030/j.cjee.202509049
This study systematically compared three virus enrichment and concentration methods—polyethylene glycol (PEG) precipitation, aluminum salt coagulation, and centrifugal ultrafiltration—for detecting SARS-CoV-2 in high-turbidity, high-strength wastewater from inbound flights. The aluminum salt coagulation method exhibited the best overall performance, achieving an average recovery rate of 25.95% for SARS-CoV-2 pseudovirus, significantly higher than PEG precipitation (12.91%) and centrifugal ultrafiltration (0.22%) (P<0.05). Its detection limit reached 10 copies·mL⁻¹, whereas centrifugal ultrafiltration suffered severe membrane fouling, limiting detection to 1,000 copies·mL⁻¹. Considering the high pH buffering of flight wastewater, the aluminum salt method was optimized by adjusting pH to 6.00±0.4, employing rapid magnetic stirring, and reducing mixing time to 1 minute, yielding an average recovery of 27.56% (not significantly different from the original 25.95%, P>0.05). An automated enrichment device was developed based on the optimized method, reducing processing time per sample from 115 min to 60 min while maintaining comparable recovery and improved repeatability. Applied to 1,309 wastewater samples from inbound flights between January 2024 and May 2025, the average detection rate of SARS-CoV-2 was 45.45%, with trends consistent with national COVID-19 epidemiological data. The automated device demonstrates suitability for routine surveillance, providing technical support for port epidemic prevention.
Chinese Journal of Environmental Engineering•2026•DOI: 10.12030/j.cjee.202509095
Biotrickling filtration (BTF) is a promising technology for treating volatile organic compounds (VOCs), but its application to hydrophobic alkanes like isohexane is hindered by mass transfer limitations, low degradation efficiency, and high operational costs. To address these bottlenecks, this study developed composite fillers by incorporating biochars derived from coffee grounds (CG), coconut shells (CS), corn cobs (CC), and activated carbon (AC) into a polyvinyl alcohol-sodium alginate (PVA-SA) hydrogel matrix. The fillers were systematically characterized for water retention, pore structure, surface functional groups, crystalline phase, and acid-base resistance. Adsorption capacity, biofilm formation, and isohexane degradation were evaluated using the strain Rhodococcus ruber ZYH-ZY. Among the composites, CG@PVA-SA exhibited superior performance: water retention of 358 mg·g−1 (vs. 280 mg·g−1 for control), enhanced mesoporosity (specific surface area 4.77 m2·g−1, pore volume 11.46 cm3·kg−1, 10–30% higher than control), and robust acid-base stability (mass loss 21.37% at pH 2 and 31.98% at pH 10). Its saturated adsorption capacity reached 201.02 mg·kg−1 (vs. 114.24 mg·kg−1 for control), and it promoted bacterial colonization with a survival rate of 79.0% (vs. 37.2% for control). Static degradation tests showed 96.59% removal of 10 μL isohexane within 24 h. The abundant polar functional groups and suitable mesoporous structure of coffee ground biochar synergized with the PVA-SA matrix, enhancing water retention, mass transfer, and microbial colonization, thereby significantly improving isohexane purification. CG@PVA-SA is an ideal filler for BTF treatment of alkane VOCs, offering a cost-effective and efficient solution for industrial VOC control.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2025031304
The Qingling River, a representative silicate rock catchment in the upper Yangtze Basin, is vital for agricultural productivity in central Yunnan. To investigate its hydrochemical characteristics, river water samples were systematically collected during both dry and wet seasons. Employing hydrochemical diagrams, statistical analysis, and absolute principal component score-multiple linear regression (APCS-MLR) modeling, we identified influencing factors and their contributions to water chemistry and evaluated irrigation suitability. Results showed that pH ranged from 7.36 to 9.18 in dry season and 7.12 to 8.92 in wet season, with total dissolved solids (TDS) varying between 119–2684 mg·L−1 and 125–2342 mg·L−1, respectively. Dominant cations were Ca2+ and Na+, while anions were primarily SO4^2− and HCO3^− in both seasons; notably, SO4^2− concentrations significantly exceeded the Yangtze River Basin’s average. Hydrochemical types varied seasonally: HCO3·SO4-Ca·Mg and HCO3·SO4-Ca dominated in dry season, whereas HCO3·SO4-Ca·Na, HCO3·SO4-Ca·Mg, and HCO3-Ca prevailed in wet season. The river water was affected by five factors: sulfuric acid-dominated water-rock interactions, carbonic acid-dominated water-rock interactions, domestic sewage discharge, agricultural non-point source pollution, and unknown sources. Contribution rates were 47.90%, 24.80%, 16.98%, 2.40%, and 7.92% in dry season, and 28.23%, 28.94%, 27.48%, 2.02%, and 13.34% in wet season, respectively. Water-rock interactions emerged as the primary control on hydrochemistry. While most samples were suitable for irrigation, a few exhibited high salinity, warranting cautious use. This study provides scientific support for irrigation water resource management and safe utilization in the Qingling River Basin.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3950-x
Photocatalytic oxygen reduction reaction (ORR) for hydrogen peroxide (H2O2) production via the two-electron pathway offers an environmentally friendly oxidant and a clean fuel. However, challenges exist in optimal oxygen (O2) adsorption capacities and maintaining O–O bond during O2 activation. Herein, we present a zinc single-atom catalyst (Zn/VN-CN) incorporating nitrogen vacancies (VN), designed to modulate the electronic structure of the photocatalyst, leading to optimized O2 adsorption energy and a remarkable enhancement in H2O2 yield. Benefiting from the synergistic effect between nitrogen vacancies and Zn single atoms, the optimized Zn/VN-CN catalyst exhibits a photocatalytic H2O2 production rate of 2.399 mmol g−1 h−1 under visible-light irradiation, representing a 12-fold enhancement compared to pristine g-C3N4 (CN), along with a high H2O2 selectivity of 87.4%. Combined experimental and theoretical studies indicate that the Zn-N3 sites act as highly active reaction centers, while nitrogen vacancies increase the charge density and downshift the d-band center of the Zn sites, thereby moderating O2 adsorption strength, lowering the activation energy barrier for the formation of *H2O2, and further converting it to H2O2. This work proposes an effective strategy for tuning O2 adsorption behavior to achieve highly selective and active photocatalytic H2O2 production.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3825-x
Polymer-based dielectric materials with high energy density and thermal stability are critical for modern electric/electronic industries. Polyimide (PI) based materials are promising due to their high temperature resistance and chemical inertness, yet their inherently low dielectric constant and limited charge-discharge energy density restrict applications in film capacitors. While incorporating ferroelectric or conductive fillers can enhance dielectric performance, batch-to-batch inconsistency and physical deterioration remain problematic. This study focuses on molecular structure design and modulation, preparing hyperbranched polyimides with different dianhydride monomers and branching degrees. The effects of chain packing density with polar groups on dielectric and energy storage performances were systematically investigated via experimentation and molecular simulation. Results demonstrate a significant correlation between monomers' electrical distribution and packing density in polymer systems. Molecular simulation further elucidated the underlying mechanism. This work establishes a foundation for designing polymer-based dielectric materials with high dielectric and energy storage performances at the molecular level.
Journal of Fuel Chemistry and Technology•2026•DOI: 10.1016/S1872-5813(26)60710-4
Lignin pyrolysis is a promising route for sustainable production of high-value phenolic chemicals, yet the intricate radical reaction network remains a major bottleneck to optimizing product selectivity. This work constructs a standardized DFT computational database that systematically describes the fast pyrolysis of vanillyl alcohol at 823.15 K. The database features three key components: primary reaction pathways, thermodynamic energy barriers, and atomic-level electronic fingerprints. The dataset covers primary reaction pathways, secondary rearrangements, and both global and local reactivity indices of key intermediates. Notably, it innovatively integrates electronic-structure fingerprints, filling the gap in reaction-network–electronic-property correlation data. Standardized computational workflows and rigorous quality control ensure accuracy, consistency, and reproducibility. The public release of this dataset provides a reliable theoretical benchmark for mechanistic studies of lignin pyrolysis and offers foundational data support for rational design of new catalysts and refinement of reaction kinetic models. Ultimately, this database not only provides an important reference for data-driven catalyst development but also lays a theoretical foundation for precise regulation of lignin depolymerization.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2026022702
This study systematically investigated the occurrence and vertical distribution of per- and polyfluoroalkyl substances (PFAS) in solid waste, leachate, and surrounding groundwater at a municipal solid waste landfill in Fuyang City, Anhui Province, China. A total of 23 PFAS were detected in solid waste, with total concentrations (∑PFAS) ranging from 7.95 to 172.28 ng·g⁻¹. Trifluoroacetic acid (TFA), an ultrashort-chain PFAS, was ubiquitous, contributing on average 59% to the total PFAS mass. PFAS composition varied with depth: long-chain PFAS dominated in middle and upper layers, while short-chain and ultrashort-chain PFAS were more abundant in deeper layers, indicating enhanced downward migration of shorter-chain compounds. Sulfonic acid PFAS exhibited increasing relative abundance with depth. Leachate ∑PFAS concentration was 14.35 μg·L⁻¹, dominated by short-chain compounds such as PFPrS and PFBS, consistent with the composition in bottom-layer waste. Groundwater surrounding the landfill contained multiple PFAS, with concentrations decreasing with distance from the landfill, confirming the landfill as a source of PFAS to the surrounding environment. Multivariate analyses (PCoA and Bray–Curtis dissimilarity) revealed that some groundwater samples closely resembled leachate in PFAS composition, suggesting direct impact via leachate migration. These findings underscore the role of landfills as significant reservoirs and sources of PFAS, particularly ultrashort-chain compounds, and highlight the need for improved leachate management to mitigate groundwater contamination.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4146-8
The conventional trial-and-error approach for the research and development (R&D) of high-performance super-hydrophilic coatings presents long-standing challenges, including data scarcity, unclear structure-activity relationships, and lack of design guidelines. In this study, an innovative multi-model framework that synergistically integrates a specialized polymer large language model (PolyLLM) and a polymer machine learning model (PolyML) for intelligent R&D of super-hydrophilic coating systems is designed and demonstrated. During the hydrophilic polymer research phase, the multi-model leverages the domain-specific insights and chemical tool capabilities of the fine-tuned PolyLLM to systematically screen 852 hydrophilic monomers and generate 3880 hypothetical polymer architectures. By utilizing the PolyML, the multi-model enables precise performance predictions and quantitative evaluations of feature importance to facilitate efficient high-throughput screening of optimal structures from the generated polymer database. Experimental validation confirms that the multi-model achieves a mean absolute error (MAE) below 10% across various polymer property prediction tasks compared to experimental data. This approach leads to the rapid discovery of hydrophilic polymers with exceptional anti-swelling and wear-resistance. In developing super-hydrophilic coatings, the multi-model effectively combines PolyLLM's guidance for large-scale synthesis with PolyML's capabilities for precise formulation optimization and curing parameter adjustments. The effectiveness of multi-model is demonstrated by the accelerated development of high-performance anti-fogging coatings for swim goggles and optical films with outstanding water- and wear-resistance that significantly outperform leading commercial products. This multi-model offers a flexible approach for advanced polymer coatings, leading to a seamless connection between laboratory research and industrial development.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4125-8
Perovskite solar cells (PSCs) require advanced interfacial modification materials to mitigate defects and ion migration that limit efficiency and stability. This study presents a low-cost, highly efficient screening methodology based on density functional theory (DFT) calculations to identify superior interface modifiers. The effectiveness of this method is experimentally validated. Methyl 1H-1,2,4-triazole-3-carboxylate (TZMC) is screened as a superior molecule that simultaneously passivates perovskite defects and suppresses ion migration through a synergistic effect: coordination with Pb2+ via carbonyl oxygen and imidazole nitrogen, and stabilization of I− via N–H···I hydrogen bonding. This mechanism reduces non-radiative recombination, enhancing both open-circuit voltage (VOC) and fill factor (FF). TZMC-modified PSCs achieve a champion power conversion efficiency (PCE) of 25.44% and significantly improved operational stability under continuous illumination and resistance to water/oxygen. Comprehensive characterization confirms reduced defect density and increased ion migration barriers. This work demonstrates the success of DFT-guided design in advancing interfacial modification materials for high-performance PSCs, transforming interface engineering from trial-and-error to rational design and providing a framework for high-throughput screening.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4196-x
Aqueous zinc-ion batteries (AZIBs) are promising for safe, low-cost energy storage, but accurate cathode characterization is essential for understanding their electrochemical behavior. This study identifies a critical artifact: routine air-drying of deeply discharged cathodes triggers spontaneous aerial oxidation, which distorts post-mortem analysis. Using NH4V4O10 (NVO) as a model cathode, we show that ex situ X-ray photoelectron spectroscopy (XPS) of discharged electrodes reveals only V4+/V5+ signals, with no detectable V3+, implying a theoretical capacity of only 245.5 mAh g−1, yet experimentally measured capacity reaches ~334.5 mAh g−1 at 0.2 A g−1. This discrepancy arises because air exposure during sample preparation oxidizes the reduced vanadium states, leading to a self-charging effect that recovers ~83% of capacity. Electrochemical re-oxidation (EO-NVO) is superior to aerial oxidation (AO-NVO), producing a stable, long-range ordered bulk structure with efficient Zn2+ transport channels, whereas aerial oxidation induces only superficial changes and structural disorder. These findings resolve a key analytical inconsistency and reveal a novel capacity-contribution pathway, with direct implications for accurate material assessment and advanced battery design.