SinoGreenTech Academic Portal
HM
Verified CAS / Academic Author19 Decoded Studies

Prof. HAN Meng

Zhejiang Institute of Meteorological Sciences, Hangzhou, China

Co-Affiliations:University of Science and Technology Beijing

Research Publications & English Decoded Briefs

Showing 19 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4349-9

Stable Sodium Metal Batteries Enabled by Encapsulation and Alloying-Induced Amorphization

Sodium metal batteries are promising for large-scale energy storage due to sodium's abundance and low cost, but their commercialization is hindered by dendrite growth and low utilization of sodium metal anodes. Here, we report a yolk-shell structure with gold nanoparticles (Au NPs) confined in hollow carbon nanospheres (Au@HCN) as a robust seeding/hosting interphase. The encapsulation isolates Au NPs from direct electrolyte contact, mitigating parasitic reactions, while the void space accommodates volume changes during alloying. Notably, electrochemical testing reveals that Au NPs undergo alloying-induced amorphization upon sodiation, forming a Na-Au amorphous alloy that enhances sodiophilicity and ensures uniform Na nucleation. This amorphous phase, confirmed by ex situ X-ray absorption spectroscopy and transmission electron microscopy, reduces nucleation overpotential and promotes dendrite-free deposition. The Au@HCN electrode achieves a high Coulombic efficiency of 99.8% over 500 cycles at 1 mA cm−2 and a long cycle life of over 2000 hours at 0.5 mA cm−2 in symmetric cells. Full cells paired with Na3V2(PO4)3 cathodes deliver a specific capacity of 105 mAh g−1 with 92% retention after 500 cycles. This work provides a rational design for stable sodium metal anodes through encapsulation and alloying-induced amorphization, offering a pathway for practical sodium metal batteries.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3658-1

Facile Synthesis of Efficient Blue-Light-Emitting Copper(I) Halide Hybrid Phosphors for Applications in pc-WLEDs and X-ray Imaging

Organic-inorganic hybrid copper(I) halide semiconductors have attracted extensive attention for applications in phosphor-converted white light-emitting diodes (pc-WLEDs), X-ray imaging, and photodetectors because of their superior photo/radioluminescence, structural diversity, and eco-friendliness. In previous work, a strategy combining coordinated anionic inorganic modules with cationic derivatives yielded highly efficient blue-emitting hybrids, but synthesis complexity limited practical use. Here, we report a facile, efficient, and rapid solution-based ultrasonic treatment method for synthesizing high-performance blue-emitting phosphors using inexpensive, commercially available tetraethylammonium halides (TEAX, X = Cl, Br, I). The synergistic interplay of ionic and covalent bonds in these compounds endows them with a high photoluminescence quantum yield (PLQY) of 70% and excellent stability. These materials exhibit thermally activated delayed fluorescence (TADF), delivering outstanding performance in pc-WLEDs and X-ray imaging. Their exceptional properties highlight significant potential for use in optoelectronic devices and X-ray scintillators. This work provides an important reference for rapid synthesis of high-performance copper(I) halide hybrid phosphors and paves the way for commercial application.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3748-9

Elimination of lattice strain to reconstruct ion transport channels facilitates direct regeneration of spent LiFePO4 cathode materials

Direct regeneration is a sustainable solution for recycling spent lithium-ion batteries (LIBs), yet the irregular strains induced by the irreversible FePO4 phase after cycling hinder Li+ replenishment in spent LiFePO4 cathodes. This study proposes a lattice stress modulation strategy that reduces FePO4 to Fe2P2O7, reducing unit cell volume from 271.7 to 122.6 Å3, releasing residual stress and reconstructing continuous Li+ transport channels. The phase transformation reconstructs FeO6 octahedra, lowering the migration energy barrier for ions. This synergistically weakens steric effects, facilitating Li+ replenishment and eliminating Li-Fe anti-site defects. Regenerated LiFePO4 cathodes achieve 80.2% capacity retention after 1000 cycles at 2C, outperforming commercial cathodes. The work establishes fundamental principles for the pre-treatment stage of direct regeneration and provides a paradigm-shifting solution for sustainable LIB recycling.

New Carbon Materials2026DOI: 10.1016/S1872-5805(26)61101-8

Single-atom iron catalysts on defect-rich nitrogen-doped carbon nanosheets for efficient phenol degradation via peroxydisulfate activation

Phenolic compounds are typical refractory organic pollutants in coal chemical coking wastewater, posing significant risks to ecosystems and human health. Conventional treatment methods are inefficient, necessitating advanced oxidation processes (AOPs). Here, we report a low-cost Fe/N–C catalyst synthesized from coal-tar pitch, a common by-product of the coal chemical industry, via a self-assembly and pyrolysis strategy using graphitic carbon nitride (g-C3N4) as a template and nitrogen source, with dicyandiamide as an auxiliary nitrogen source and FeCl3·6H2O as the iron precursor. The resulting nitrogen-doped carbon nanosheets possess abundant defects (sp3-C/sp2-C = 0.66) and atomically dispersed iron species. The Fe/N–C catalyst exhibits outstanding catalytic activity for peroxydisulfate (PDS) activation, achieving over 98% phenol degradation within 30 minutes and a 60% total organic carbon (TOC) removal rate. Mechanistic studies, including radical quenching and electron paramagnetic resonance (EPR) experiments, reveal that both radical and non-radical pathways contribute to phenol degradation, with singlet oxygen (1O2) as the primary reactive oxygen species. Electrochemical analyses demonstrate that atomically dispersed Fe sites significantly enhance interfacial electron transfer. Post-reaction characterization indicates the consumption of pyrrolic-N, C=O, and carbon defects as active sites, while graphitic-N and Fe–N structures remain stable, confirming the catalyst's stability. This work provides an economical route to convert coal-tar pitch into high-performance catalytic materials for efficient water treatment, embodying the circular economy concept of waste-to-resource utilization.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202508053

Biosurfactant-Enhanced Electrokinetic-Biobarrier Remediation of Polycyclic Aromatic Hydrocarbon-Contaminated Soil from an Industrial Site

Polycyclic aromatic hydrocarbons (PAHs) in industrial soils pose significant risks due to their hydrophobicity and low bioavailability, limiting the efficacy of bioremediation. This study investigated the enhancement of an in-situ electrokinetic-biological barrier (EK-BB) system for PAH-contaminated soil using biosurfactants. Three biosurfactants—rhamnolipid (RL), alkyl polyglycoside (APG), and saponin (SAP)—were applied individually and in combinations at 10× critical micelle concentration (CMC), and the optimal RL+APG mixture was further tested at 2.5, 5.0, 7.5, and 10× CMC. Results showed that biosurfactant application improved soil electrical current, moisture retention, and PAH removal. Combined surfactants outperformed single ones, with the 10× CMC RL+APG treatment (Exp IV) achieving the highest average current intensity and moisture content, 1.31 and 1.12 times that of the control (CK), respectively, and a PAH removal of 106.02 mg·kg⁻¹. Biosurfactants also promoted bacterial growth in both contaminated soil and the biobarrier layer; the 10× CMC RL+APG treatment increased bacterial counts by 6.24-fold and 44.8%, respectively. However, excessive surfactant concentrations led to PAH accumulation in the biobarrier and clean soil. The 5× CMC RL+APG treatment provided optimal balance, maximizing PAH removal while maintaining barrier effectiveness. These findings confirm that appropriate biosurfactant concentrations can enhance EK-BB remediation, offering technical support for PAH-contaminated site remediation and safe reuse.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(25)60612-8

Efficient Leaching and Separation of Iron, Aluminum, and Calcium from Carbon-Rich Components in Coal Gasification Fine Slag Using Organic Acids

Coal gasification fine slag (CGFS) is a solid waste generated in large quantities during coal gasification, containing residual carbon and inorganic ash rich in SiO2, Al2O3, CaO, Fe2O3, and MgO. The carbon-rich components (CGFS-H) of CGFS, typically comprising 20–50% residual carbon, present both environmental challenges and opportunities for resource recovery. This study systematically investigates the selective leaching behavior of Fe3+, Al3+, and Ca2+ from CGFS-H using three organic acid extractants: citric acid, tartaric acid, and tetrasodium iminodisuccinate (IDS-4Na). The results demonstrate distinct selectivity: IDS-4Na exhibits the highest leaching yield and selectivity for Fe3+, achieving a single leaching yield of 41.2% while suppressing Ca2+ and Al3+ leaching to below 4%, with a selectivity ratio of Fe3+ to Al3+ and Ca2+ of 10.73. Tartaric acid effectively leaches both Fe3+ and Al3+, with single yields of 38.7% and 33.5%, respectively, while Ca2+ leaching remains below 5%, yielding a selectivity of Fe3+ and Al3+ relative to Ca2+ of 14.73. Citric acid preferentially leaches Ca2+, achieving a single yield of 71.5%, but also leaches Fe3+ and Al3+ at 35.2% and 39.1%, respectively, resulting in a low selectivity ratio of Ca2+ to Fe3+ and Al3+ of 0.96. Based on these selective affinities, a green stepwise separation method was developed using sequential leaching with IDS-4Na, tartaric acid, and citric acid. Under optimal conditions, cumulative leaching yields of 79.8% for Fe3+, 65.08% for Al3+, and 78.6% for Ca2+ were achieved. XRD, XRF, and SEM analyses elucidate the complexation mechanisms, indicating that the synergistic effects of selective coordination between structurally diverse organic acids and metal ions drive the process. This advancement provides a critical foundation for developing Ca/Fe/Al hydrotalcite materials using CGFS-H as a sustainable feedstock, promoting resource-efficient utilization of coal gasification fine slag.

The Chinese Journal of Process Engineering2026DOI: 10.12034/j.issn.1009-606X.225250

Research Progress and Intelligent Trend of Slag Foaming Prediction

Slag foaming is a critical phenomenon in electric arc furnace (EAF) steelmaking, enhancing thermal efficiency, suppressing metal splashing, and stabilizing the refining process. Accurate prediction and control of slag foaming are essential for green and efficient steelmaking. This review systematically examines research progress on slag foaming prediction, clarifying the applicability, advantages, and limitations of different predictive methods to support intelligent control of foamy slags. Following the framework of 'influencing factors-prediction methods-development trends', the study summarizes the coupling effects of multiple variables such as basicity, viscosity, surface tension, suspended particles, gas parameters, and temperature on foam formation and stability. It compares five major prediction approaches: empirical formulas, dimensionless modeling, thermodynamic calculations, computational fluid dynamics (CFD) simulations, and machine learning models, analyzing their core concepts, merits, and constraints. Results indicate that single models often struggle to balance real-time capability and accuracy, particularly under multi-variable coupling and complex operating conditions. Therefore, a hybrid prediction framework combining mechanism-based and data-driven models is proposed, emphasizing physical constraints, multi-scale coupling, and multi-source data fusion. This integrated approach is expected to advance slag foaming prediction from 'computable' to 'controllable and adjustable', offering methodological insights for the development of green and intelligent EAF steelmaking.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3787-x

Collapsed nanomineral inducing oxidation-enhanced photoacoustic mechanical damage for elimination of solid tumor

Circumventing the tumor's defensive antioxidant system and achieving precision cancer therapy remain major challenges in high-efficacy tumor treatments. Here, we propose a synergistic strategy integrating non-oxidative physical ablation and oxidative chemical intervention. An acid-responsive self-collapsing nanomineral PCSB is constructed, comprising poly(acrylic acid)-modified calcium sulfite (CaSO3) and a pH-responsive photoacoustic (PA) therapeutic molecule, aza-BDP. In the tumor acidic microenvironment, PCSB decomposes, releasing PA agents and SO2/Ca2+, thereby enabling combined non-oxidative mechanical damage from PA therapy and oxidative chemical damage from SO2 gas and Ca2+ ions. This dual-action approach effectively reduces resistance conferred by tumor antioxidant mechanisms and improves treatment precision. The study presents a synergistic physical-chemical strategy with significant potential for solid tumor elimination.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3875-1

In-situ growth of ZnIn2S4 nanosheets on a Ti-based MOF to form a core-shell heterojunction for enhanced photocatalytic hydrogen evolution

Photocatalytic hydrogen evolution reaction (HER) from pure water is a promising strategy to address critical challenges in energy sustainability and environmental remediation. However, HER over single-component photocatalysts is intrinsically limited by inefficient carrier separation and relatively poor photostability. Forming abundant interfaces between two components is an effective approach for solving these issues. Herein, a series of hierarchical core-shell heterojunction photocatalysts, designated as F@Z-X, was rationally constructed by in situ growing ZnIn2S4 (ZIS) nanosheets on a Ti-based metal-organic framework (FIR-125), demonstrating remarkable structural stability. Due to the abundant intimate contact interfaces and well-matched band structure, the F@Z-X series exhibit enhanced HER performance. Among them, the optimized heterojunction [email protected] shows a photocatalytic hydrogen evolution rate of 3789.45 μmol g−1 h−1, which is about 4.4 and 264.4 times higher than that of pristine ZIS (859.57 μmol g−1 h−1) and FIR-125 (15.32 μmol g−1 h−1), respectively. Moreover, the photocatalyst manifests excellent reusability and durability, maintaining its performance over five consecutive cycles and sixteen hours of continuous reaction. The outstanding performance of [email protected] may be ascribed to an optimal balance among three fundamental photocatalytic processes: sufficient light absorption, exceptional carrier separation, and appropriate surface reaction. This work offers valuable insights into the rational design and controllable synthesis of novel heterojunction photocatalysts for efficient hydrogen evolution.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025051404

Distribution Characteristics and Risk Assessment of Typical Rubber Additives and Their Transformation Products in the Guangzhou Section of the Pearl River, China

Rubber additives, such as 1,3-diphenylguanidine (DPG) and p-phenylenediamine antioxidants (PPDs), are widely used in the rubber industry and have been increasingly detected in aquatic environments. This study investigated the distribution characteristics and potential sources of seven typical rubber additives (DPG, 6PPD, IPPD, DPPD, CPPD, DNPD, and 77PD) and the transformation product 6PPD-Q in surface water of the Guangzhou section of the Pearl River, China. A total of 29 sampling sites were analyzed. Total concentrations of the target compounds ranged from 205 to 5400 ng·L−1, with a mean of (820±1100) ng·L−1. DPG was the dominant compound in both dissolved and particle phases, accounting for (99±1.9)% and (66±13)% of the total concentrations, respectively. Source analysis indicated that aquaculture, vessel navigation, agricultural runoff, and wastewater treatment plant discharges likely influence the occurrence of rubber additives in this river section. Risk quotient (RQ) assessment revealed that 6PPD-Q posed high ecological risk at all sampling sites (RQ > 1), while DPG exhibited moderate to high risk at most sites (RQ > 0.1). In contrast, 6PPD, IPPD, CPPD, and DPPD showed low ecological risk. These findings highlight the need for heightened attention to the ecological risks posed by 6PPD-Q and DPG in the Pearl River Basin and provide scientific data for pollution prevention and risk management.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2026050701

Efficient Adsorption of Food Colorants onto Activated Carbon Derived from Haematococcus pluvialis Residue: Performance and Mechanism

Azo food colorants are persistent aquatic pollutants posing risks to ecosystems and human health. Utilizing biomass waste to produce low-cost activated carbon offers a sustainable strategy for their removal. In this study, activated carbon (HPR-AC) was synthesized from Haematococcus pluvialis residue via phosphoric acid activation, and its adsorption performance was evaluated using Sunset Yellow (SY), Ponceau 4R (P4R), and Tartrazine (TY) as model pollutants. The effects of solution pH, adsorbent dosage, initial dye concentration, and temperature on adsorption efficiency were systematically examined. Characterization by BET, FTIR, XRD, and XPS revealed that HPR-AC possesses a high specific surface area and an abundant mesoporous structure. The adsorption process was well described by the Langmuir isotherm and pseudo-second-order kinetic models, indicating monolayer chemisorption and an endothermic nature. At pH 5 and 55 °C, the maximum adsorption capacities reached 67.12, 79.72, and 72.75 mg·g−1 for SY, P4R, and TY, respectively. Statistical physics modeling further suggested a multilayer physical adsorption mechanism, primarily governed by pore filling, electrostatic interactions, hydrogen bonding, π-π stacking, and charge transfer. These findings provide both theoretical insights and empirical data for the valorization of H. pluvialis residue and the development of efficient, sustainable adsorbents for azo dye removal from water.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2026032502

Spatiotemporal Distribution Characteristics and Main Influencing Factors of Atmospheric CH4 in Northern Zhejiang

Methane (CH4) is a potent greenhouse gas with a global warming potential approximately 28 times that of CO2 over a 100-year horizon. Direct observation of atmospheric CH4 concentrations is essential for quantifying contributions from anthropogenic and natural sources. This study analyzes online CH4 monitoring data from Huzhou City and Deqing County in northern Zhejiang Province, China, to characterize spatiotemporal variations and identify controlling factors. Diurnal patterns show higher nighttime concentrations due to reduced vertical mixing and enhanced stability, with winter maxima and autumn minima. The seasonal background concentration at Huzhou station follows winter > spring > autumn > summer. Deqing, influenced by artificial aquaculture ponds and wetlands, exhibits smaller diurnal amplitude and generally higher CH4 levels than Huzhou, particularly during the plum rain season. Potential Source Contribution Function (PSCF) analysis indicates that high-concentration sources are predominantly located in eastern Zhejiang, with seasonal shifts: spring sources in the Yangtze River Delta and southeast coast, summer sources in southeastern Zhejiang, minimal autumn regional transport, and winter sources in eastern Jiangxi. These findings underscore the roles of local wetland emissions and regional transport in modulating CH4 levels, providing a scientific basis for targeted emission reduction strategies.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202608006

Prediction of Available Phosphorus Formation and Analysis of Key Influencing Factors during Organic Waste Composting Using Stacking Ensemble Learning

Organic waste is a potential phosphorus reservoir, and understanding the dynamics of available phosphorus (AP) during its resource utilization is critical for efficient phosphorus recovery. Composting, a key route for organic waste valorization, involves complex transformations of phosphorus alongside organic matter degradation and humification. However, the long duration and high cost of composting experiments, coupled with multifactorial influences, hinder efficient elucidation of AP dynamics via conventional methods. This study compiled data from 33 publications, constructing a dataset of 647 samples. Data preprocessing included iterative imputation, one-hot encoding, and standardization. A stacking ensemble learning model was developed to predict AP generation during composting. The optimal ensemble comprised XGBoost and SVR as base learners and ElasticNet as the meta-learner, achieving R² values of 0.954 and 0.928 on training and test sets, respectively, with low overall error. SHAP analysis revealed that key factors influencing AP content, in descending order of importance, were feedstock type, bulking agent type, turning interval, pH, electrical conductivity (EC), and C/N ratio. Notably, livestock manure as feedstock and straw-based bulking agents contributed positively to AP predictions. Partial dependence plots indicated that lower pH and C/N ratios generally favored AP accumulation throughout composting. During the initial stage, higher moisture content and lower EC enhanced AP; in the thermophilic phase, higher temperatures corresponded to higher AP; and during cooling and maturation, maintaining moisture below 48% and C/N below 14, while extending composting beyond 43 days, promoted AP accumulation. This study demonstrates accurate AP prediction via stacking ensemble learning and identifies critical factors, offering support for optimizing phosphorus management in composting engineering.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202608005

Recovery of Carbon Fiber Reinforced Polymer via Superheated Steam Pyrolysis: Mechanisms, Properties, and Prospects

The escalating volume of end-of-life carbon fiber reinforced polymer (CFRP) and the high energy consumption and emissions of virgin fiber production necessitate low-carbon recycling technologies. Superheated steam pyrolysis, an emerging method, is systematically reviewed. At 450–500 °C, the synergistic 'hydrothermal-weak oxidation' mechanism enables controlled resin cracking and simultaneous char removal. Key parameters—temperature, oxygen concentration, residence time, and CO2/steam two-step coupling—affect the mechanical, surface, and electrical properties of recycled carbon fiber (rCF). A 'low-temperature, short-duration, micro-oxygen' process retains over 90% tensile strength. Comparison of laboratory, pilot, and industrial setups highlights challenges in exhaust gas treatment, multi-component waste adaptability, and energy integration. Life cycle assessment (LCA) confirms this route reduces energy consumption by ~25% and carbon emissions by ~30% versus landfilling/incineration, offering environmental and economic advantages. Future research should focus on product databases, distributed recycling networks, and unified LCA frameworks to support CFRP closed-loop recycling.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4080-y

Visualizing hepatic M1 macrophages with a dual-target-recognizing photoacoustic nanoprobe for identifying non-alcoholic steatohepatitis

M1 macrophages (M1φ) are pivotal drivers in the progression from non-alcoholic fatty liver (NAFL) to non-alcoholic steatohepatitis (NASH). Longitudinal monitoring of intrahepatic M1φ could facilitate non-invasive diagnosis of NASH, yet achieving specific and sensitive in vivo imaging of M1φ remains challenging due to the nonspecific phagocytic activity common to all phenotypic macrophages. In this study, we developed a dual-target-recognizing photoacoustic nanoprobe that can target glucose transporters (GLUTs) and be selectively activated by nitric oxide (NO). Benefiting from its enhanced affinity for M1φ and decent responsive capability to NO, the probe exhibited favorable imaging performance toward M1φ in ex vivo experiments. Following systemic administration in diabetic mice, the probe rapidly accumulated in the liver, where it was selectively internalized by M1φ via specific recognition between glucose molecules and GLUTs, further inducing a NO-triggered enhancement of the photoacoustic signal. Distinct photoacoustic signal enhancement patterns were observed between NAFL and NASH livers, enabling non-invasive in vivo discrimination of NASH. This study proposes a novel strategy using a dual-target-recognizing probe to improve the selectivity and sensitivity of in vivo M1φ imaging, while also providing new insights for the non-invasive diagnosis of NASH.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4064-1

Copper-based single-atom catalysts for synergistic antibacterial action: synthesis, mechanisms, and multifunctional applications

Bacterial infections and the accelerating rise of antimicrobial resistance (AMR) demand innovative antibacterial strategies beyond conventional antibiotics. Copper single-atom catalysts (Cu-SACs), featuring atomically dispersed active sites and tunable electronic structures, offer potent multimodal catalytic antibacterial functions. This review summarizes recent advances in the design, mechanisms and applications of Cu-SACs in antimicrobial technologies. We first outline four major synthesis routes: thermal activation, solvent-mediated strategies, energy-intensive methods and template-etching approaches, enabling high loading, stable anchoring and scalable, environmentally compatible production. We then dissect the multimodal antibacterial mechanisms of Cu-SACs: functioning as nanozymes to catalyze reactive oxygen species (ROS) generation; acting as photosensitizers to enable photocatalytic and photothermal bactericidal activity; and integrating these pathways with gas therapy, controlled ion release and immune modulation to construct multidimensional antimicrobial networks capable of eradicating drug-resistant bacteria and biofilms. We further discuss the substantial potential of Cu-SACs across three application domains: chemical-free, high-efficiency disinfection and real-time monitoring in water purification; durable self-disinfecting performance in antimicrobial textiles; and precision infection management in biomedical settings through integrated “bactericidal-anti-inflammatory-tissue-repair” therapeutic frameworks for both superficial and deep-tissue infections. Finally, we examine the challenges and future directions for the clinical translation and precise antimicrobial deployment of Cu-SACs, providing a conceptual foundation and practical guidance for advancing atomically engineered antibacterial materials from laboratory research to industrial applications.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4125-8

Accelerated DFT-Assisted Screening of Interfacial Modification Materials for High-Performance Perovskite Solar Cells

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 Materials2026DOI: 10.1007/s40843-026-4184-6

Atomic proximity-controlled Pd-Ti bifunctional catalyst for the sustainable direct ammoximation of cyclohexanone in water

The industrial production of ε-caprolactam, the essential precursor for nylon-6, is a cornerstone of the modern polymer industry. Historically, this process evolved from energy-intensive non-catalytic routes to the more atom-economical ammoximation of cyclohexanone over titanosilicate catalysts using H2O2 as a green oxidant. Despite this progress, the reliance on concentrated H2O2 presents a significant sustainability bottleneck, as its commercial production via the anthraquinone process is energy-intensive, waste-prone, and involves hazardous transportation. A more sustainable ideal reaction involves the direct use of H2 and O2 to generate active oxygen species in situ. However, implementing this bifunctional route has long been thwarted by high noble metal loadings, poor H2 efficiency due to the rapid decomposition of intermediate H2O2, and the inherent instability of catalysts in the alkaline aqueous media required for ammoximation. In the January 2026 issue of Nature Catalysis, Wu and colleagues report a breakthrough by engineering a titanium-mordenite-confined, low-loaded Pd catalyst (0.055 wt% Pd@A-Ti-MOR-R) that achieves exceptional efficiency and industrial-grade longevity for direct ammoximation in water. The researchers proposed a “structured” solution to spatial confinement by utilizing an acid-treated Ti-MOR (A-Ti-MOR) featuring specific Ti-OH defect sites adjacent to silanol nests. These defects act as precise anchors to stabilize subnanometric Pd2 clusters, ensuring that the Pd and Ti active sites remain in “atomic proximity” within the 8-ring side pockets of the zeolite. This atomic-level configuration was rigorously verified using spherical-aberration-corrected annular dark field scanning transmission electron microscopy (ADF-STEM), which identifies bright contrasts from subnanometric Pd clusters with diameters below 0.5 nm near the framework pores. Furthermore, Pd K-edge extended X-ray-absorption fine-structure (EXAFS) analysis confirms the formation of Pd–O–Ti bridges through the identification of a specific scattering path at 3.67 Å, proving that the Pd clusters are chemically bonded to the framework Ti sites.

SCIENCE CHINA Materials2025DOI: 10.1007/s40843-025-3551-5

Bioinspired Photonic Polyurethane: Uniting Self-Healing and Flexibility for Multiple Sensing

Flexible photonic crystal (PC) materials exhibit exceptional optical properties but suffer structural degradation under repeated mechanical stress, leading to photonic band gap impairment and limited sustainability. This study introduces a self-healing thermoplastic polyurethane (STPU) with an inverse-opal PC structure, inspired by natural structural coloration and self-healing mechanisms. Synergistic dynamic covalent disulfide bonds and hydrogen bonds enable reversible mechanical adjustment, yielding a tensile strength of 26.76 MPa and elongation at break of 2000%. The inverse opal structure facilitates reversible color transitions in response to solvents (water, ethanol) and mechanical strain (0–70%) via lattice spacing modulation. Incorporating an interpenetrating network of polyacrylamide hydrogel and carbon nanotubes enhances strain sensitivity and structural color stability. The material demonstrates broad potential in flexible sensors, adaptive optical devices, bioinspired robotic skins, and dynamic anti-counterfeiting encryption, overcoming traditional PC limitations such as high fragility and single functionality. This strategy advances durable intelligent sensing materials with enhanced environmental adaptability and multifunctional integration.