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Verified CAS / Academic Author20 Decoded Studies

Prof. Xin Ai

Key Laboratory of Organic Optoelectronics and Molecular Engineering, Department of Chemistry, Tsinghua University

Research Publications & English Decoded Briefs

Showing 20 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4246-5

Efficient green-solvent, additive-free and post-treatment-free organic solar cells enabled by dithiazolobenzotriazole-based polymer donors

Developing organic solar cells (OSCs) processable from green solvents without additives or post-treatments is essential for sustainable manufacturing, yet high power conversion efficiency (PCE) remains difficult due to limited morphology control. Herein, we develop a new electron-deficient building block, dithiazolo[4',5':3,4;5'',4'':5,6]benzo[1,2-d][1,2,3]triazole (DTzBT), which fuses benzo[d][1,2,3]triazole (BTA) with thiazole to leverage S/N-mediated non-covalent interactions, enhance planarity and lower the HOMO. To isolate side-chain effects, two DTzBT-based donors, namely PTzMe-F (N-methyl) and PTzEH-F (N-2-ethylhexyl), have been designed and synthesized. PTzMe-F exhibits poor solubility and miscibility with L8-BO, yielding 2.64% PCE (chloroform). PTzEH-F exhibits excellent processability and favorable morphology, delivering 17.61% PCE (chloroform) and 19.17% as-cast from toluene without any additive or post-treatments. In addition, the ternary LbL device based on PTzEH-F/L8-BO:PC71BM achieved an impressive efficiency of 20.27%. Comprehensive characterization indicates that 2-ethylhexyl side chains afford optimal solubility while preserving strong intermolecular interactions and favorable phase separation. DTzBT mitigates BTA’s HOMO-raising tendency via electron-withdrawing thiazole fusion, reconciling aggregation tunability with energy-level control. These results show that precise backbone and side-chain co-design enables green-solvent, additive-free processing for high-performance OSCs, advancing sustainable photovoltaic manufacturing.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4262-7

Single-gate reconfigurable multifunctional devices based on anti-ambipolar van der Waals heterojunctions

The escalating demands of artificial intelligence, machine learning, and neural computing necessitate multifunctional optoelectronic devices capable of integrating sensing, memory, and processing. Two-dimensional van der Waals heterostructures (vdWHs) offer unique advantages, yet their practical deployment is hindered by complex architectures and inefficient mode-switching. Here, we demonstrate a MoTe2/SnS2 anti-ambipolar heterojunction device enabling single-gate reconfiguration among frequency doubling, broadband photodetection, and neuromorphic computing. The device exhibits a peak-to-valley ratio (PVR) of 465, ensuring efficient frequency doubling. As a photodetector, it operates across an exceptionally broad spectral range of 520–2200 nm, with outstanding responsivity and detectivity. Furthermore, the device emulates complete synaptic behaviors, including short-term plasticity (STP), long-term plasticity (LTP), and paired-pulse facilitation (PPF). Integrated into a reservoir computing (RC) system trained on a vehicle motion dataset, it achieves a directional recognition accuracy of 98.7%. This work establishes a paradigm for multifunctional integration and low-power neuromorphic computing, advancing next-generation intelligent optoelectronic systems.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4337-2

Stiff–Soft Synergistic Assembly of Mechanically Adaptive Silica Aerogel Composites

Silica aerogels are recognized as leading super-insulating materials due to their ultralow thermal conductivity, yet their intrinsic brittleness and poor processability restrict practical deployment in complex industrial and extreme environments. This study introduces a macro-scale 'stiff–soft' synergistic strategy, combining a macroscopically processable, soft-and-tough framework as the load-bearing component with hard-and-brittle polymethylsilsesquioxane (PMSQ) aerogels as the insulating component. A pressure-driven assembly process enables viscosity-tunable PMSQ gel inks to be controllably infused into various hollow frameworks, including honeycomb panels, wheat straws, and hollow fibers. Guided by a modified Hagen–Poiseuille model, ink viscosity is precisely matched to the geometric parameters of the hollow structures. The resulting composites achieve compressive strength of 2.5 MPa, flexural strength of 6.25 MPa, and tensile strength of 40 MPa, while maintaining excellent thermal insulation. This versatile and scalable approach offers a new design paradigm for mechanically adaptive silica aerogel composites in thermal management applications.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3666-2

Blue-emitting ionic multi-resonance emitters for efficient narrowband light-emitting electrochemical cells

Light-emitting electrochemical cells (LECs) are promising for low-cost, solution-processed display and lighting applications, yet achieving high efficiency and color purity remains challenging. Here, we report two ionic multi-resonance (MR) emitters with narrowband blue emission for high-color-purity LECs. By covalently bonding an imidazolium functional group into a boron/nitrogen-doped polycyclic skeleton, the emitters retain the narrowband emission and high photoluminescence quantum yield (PLQY) of the MR core while gaining ionic character. The design exploits two types of nitrogen atoms in the imidazolium unit: the pyrrolic N at the 1-position forms a para-B-π-N linkage, elevating excited-state energy levels and blue-shifting emission; the pyridinic N at the 3-position provides a quaternization site, yielding intrinsically ionic emitters compatible with ionic hosts. The emitters exhibit blue emission with narrow full-width at half-maximum of 26–27 nm and high PLQYs of 95%–97% in solid-state films. LECs based on these emitters achieve narrowband blue electroluminescence with CIE coordinates of (0.12, 0.26) and a maximum external quantum efficiency (EQE) of 4.6%, representing the first narrowband blue LECs based on intrinsically ionic MR emitters. This work demonstrates a viable molecular design strategy for high-color-purity LECs, addressing the long-standing trade-off between efficiency and color purity in this technology.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3685-7

Suppressing the aggregation and optimizing the electronic structure of porous Ni nanosheets by POMs-derived Mo2N for efficient hydrogen evolution in AEM water electrolysis

NiMo-based catalysts are promising for the hydrogen evolution reaction (HER), yet optimizing their electronic structure and enhancing mass transfer remain challenging. Here, we report a route to synthesize two-dimensional (2D) porous Mo2N-Ni heterojunction nanosheets with tuned Ni/Mo ratio for enhanced alkaline HER. The precursor is assembled from polyoxometalate clusters (PMo12) and layered Ni(OH)2. The interaction between PMo12 and Ni(OH)2 suppresses particle agglomeration during pyrolysis, yielding 2D porous sheets composed of small Mo2N-Ni units. Electron transfer from Ni to Mo2N redistributes electrons at the heterojunction, optimizing intermediate adsorption/desorption. The porous structure enhances mass transfer, reducing catalyst impedance. The optimized catalyst exhibits an overpotential of 19 mV at 10 mA cm−2, comparable to commercial Pt/C. An anion exchange membrane (AEM) electrolyzer pairing this catalyst with NiFe-LDH achieves 500 mA cm−2 at 1.80 V and operates stably for 300 h. This assembly method offers a scalable strategy for efficient catalyst production.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3739-8

Redefining selectivity paradigms in electrochemical nitrogen reduction reaction on confined dual-atom catalysts

The premature decay of electrochemical nitrogen reduction reaction (eNRR) performance at low electrode potentials remains a major obstacle to practical applications, primarily due to competition from the hydrogen evolution reaction (HER). A new paradigm capable of transcending current selectivity constraints is urgently required to advance eNRR toward industrial implementation. In this work, we propose two practical selectivity descriptors (ΔΔG and ΔU) based on a systematic investigation of the potential-dependent competition between eNRR and HER on confined dual-atom catalysts. The descriptor ΔΔG (ΔG_N2 − ΔG_H) identifies the potential range where N2 adsorption dominates over H adsorption, while ΔU (U_cross – U_eNRR) specifies the potential range to trigger direct eNRR, offering a quantitative benchmark for rational catalyst design. Ideal catalysts should maintain N2-preferential adsorption across a broad potential window to facilitate direct eNRR. Guided by this insight, we demonstrate that confined dual-atom configurations with optimized interatomic distances can simultaneously achieve both overwhelming N2 adsorption and sufficient activation, thereby overcoming conventional selectivity limitations. This strategy enables ammonia synthesis with industrially relevant production rates and current density even at elevated potentials. Our mechanistic insights not only elucidate the root causes of performance limitations in eNRR but also offer a rational design framework for developing high-performance catalysts across a broad range of electrochemical transformations.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(25)60607-4

Methanation Performance of Biomass Gasification Syngas over Alkali-Modified Ni/Al2O3 Monolithic Catalysts

The methanation of biomass gasification syngas (H2/CO = 3:1) was investigated over Ni/Al2O3 monolithic catalysts supported on cordierite, with a nominal Ni loading of 15 wt%. Catalysts were modified by treatment with 10% NaOH solution for 1 h and 2 h. Physicochemical properties were characterized by BET, TEM, H2-TPR, XRD, CO2-TPD, and TG. Results showed that the 2 h modification (15%Ni/Al2O3-2h) increased specific surface area, enhanced catalytic activity, and increased alkaline site density compared to the unmodified catalyst. Under optimized conditions (H2/CO volume ratio 3:1, space velocity 10000 mL/(g·h), temperature 400 °C), the 15%Ni/Al2O3-2h catalyst achieved a CO conversion of 97% and CH4 selectivity of 100%. Stability tests over 2 h showed that the CO conversion remained stable at approximately 98%, indicating excellent catalytic stability. The study demonstrates that alkali modification with 10% NaOH for 2 h significantly improves both the methanation performance and stability of Ni/Al2O3 monolithic catalysts, offering a promising route for synthetic natural gas production from biomass.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202604009

Microbiome Mechanisms of Composite Carbon Sources for Enhancing Denitrification and Reducing N2O Emissions

Biological nitrogen removal in wastewater treatment plants (WWTPs) is often limited by insufficient influent carbon sources, necessitating external carbon addition to enhance denitrification. Conventional single carbon sources, such as sodium acetate, frequently fail to meet the metabolic demands of complex microbial communities, compromising nitrogen removal efficiency and stability. Composite carbon sources, by providing multiple electron donors, can improve metabolic cooperation among microorganisms, yet their underlying microbial mechanisms remain insufficiently understood. In this study, activated sludge from a municipal WWTP was used to investigate the microbial mechanisms of composite carbon sources during denitrification. Batch denitrification experiments were conducted in combination with metagenomic and metatranscriptomic analyses to systematically characterize microbial community structure and functional gene expression under different carbon source conditions. Results showed that, compared with sodium acetate as the single carbon source, the composite carbon source system (sodium acetate: sodium succinate: ethanol = 2:1:3) increased the denitrification rate from (6.822 ± 0.141) mg/(L·h) to (8.370 ± 0.186) mg/(L·h), representing a 22.7% improvement, while reducing N2O accumulation by approximately 55%. Metagenomic analysis revealed that Ottowia, Rubrivivax, Thauera, and Zoogloea were the dominant denitrifying genera. Metatranscriptomic results further demonstrated that the composite carbon sources significantly upregulated the transcription of key denitrification genes, with nirS, norB, and nosZ increasing by 37.8%, 27.4%, and 48.6%, respectively. In addition, the composite carbon sources promoted complementary carbon metabolic strategies among different microbial communities, enhancing electron donor supply and improving denitrification efficiency. These findings indicate that composite carbon sources synergistically enhance denitrification performance through regulation of functional gene transcription in complex microbial communities, providing a theoretical basis for carbon source optimization in WWTPs.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3856-0

Photoelectrochemical Upgrading of Biomass-Derived Compounds over Hematite Nanorods Decorated with Bimetallic Zeolitic Imidazolate Frameworks

Replacing the kinetically sluggish oxygen evolution reaction (OER) with biomass oxidation at photoanodes offers a cost-effective and energy-efficient route for simultaneous hydrogen production and value-added chemical synthesis in a photoelectrochemical (PEC) cell. Here, titanium-doped hematite nanorods (Hem) decorated with CoNi bimetallic zeolitic imidazolate frameworks (ZIF) were prepared via room-temperature deposition and employed as photoanodes for 5-hydroxymethylfurfural (HMF) oxidation. Using 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) as a redox mediator in alkaline electrolyte, the CoNi-ZIF/Hem photoanode achieved a photocurrent density of 1.09 mA cm−2 at a low bias of 1.1 V vs. reversible hydrogen electrode (RHE). Experimental results and theoretical calculations reveal that CoNi-ZIF accelerates charge transfer and separation, and enhances TEMPO adsorption on the surface, benefiting PEC TEMPO-mediated HMF oxidation to 2,5-furandicarboxylic acid (FDCA). In a flow-cell reactor under 1 sun illumination, the photoanode achieved ~99% HMF conversion and ~98% FDCA yield within 2 hours. The photoanode also exhibited excellent performance for TEMPO-mediated oxidation of various aldehyde-containing biomass-derived compounds. This work demonstrates a rational design of hematite-based photoanodes for efficient biomass valorization coupled with hydrogen production.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025022501

Comparison and Optimization of Pretreatment Methods for Emerging Contaminants and Application in Industrial Wastewater Samples

The pretreatment of trace emerging contaminants in environmental matrices is challenging due to diverse methods and uncertain applicability. This study compared solid-phase extraction (SPE) and liquid-liquid extraction (LLE) for extracting endocrine-disrupting compounds (EDCs), particularly phthalate esters (PAEs), using laboratory-spiked blank samples. LLE achieved satisfactory recoveries for PAEs at spike levels below 4 μg·L−1, enabling detection of five PAEs including diisodecyl phthalate (DIDP), with improved efficiency via repeated extraction. SPE offered lower detection and quantification limits, higher accuracy and sensitivity, and achieved high recoveries for 12 EDCs and 10 antibiotics at spike levels ≥0.2 μg·L−1, with detection limits as low as 0.1–6.4 ng·L−1. The developed SPE coupled with liquid chromatography-Orbitrap mass spectrometry (LC-Orbitrap MS) method was applied to industrial wastewater samples. Across five industrial sectors (coatings, rubber, pharmaceuticals, inks, and materials technology), five antibiotics and ten EDCs were detected, with total concentrations ranging from 0.03–0.56 μg·L−1 and 0.07–1.91 μg·L−1, respectively. Sector-specific profiles emerged: rubber industry effluent was dominated by dibutyl phthalate (DBP) at 1.07 μg·L−1, while pharmaceutical effluent featured sulfamonomethoxine (SMM) at 0.34 μg·L−1. This systematic evaluation demonstrates that SPE-LC-Orbitrap MS is robust for complex matrices, providing a technical foundation for accurate quantification of emerging contaminants in industrial wastewater.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3886-1

Facile Ball-Milling Synthesis of Highly Efficient Manganese Halides Toward White Light-Emitting Display and X-Ray Imaging

Organic-inorganic hybrid Mn(II) halides have attracted considerable attention for optoelectronic applications due to their environmental friendliness and high photoluminescence quantum yield (PLQY) originating from the d-d transition (4T1(G) → 6A1) of Mn2+. However, complex synthesis processes restrict their potential for low-cost, large-scale production. In this study, the Mn(II) halide (C22H22O2P)2MnBr4 was synthesized via a simple and efficient mechanochemical ball-milling approach, achieving high photoluminescence efficiency and production yield. The halide exhibits intense green emission centered at 520 nm with a PLQY of up to 96.1%. Combined experimental and theoretical characterizations confirm that the strong light emission originates from the synergistic interaction between organic cations and inorganic framework components. A white light-emitting diode (WLED) device based on (C22H22O2P)2MnBr4 was fabricated, exhibiting bright white light emission and a wide color gamut of 113% NTSC. Furthermore, a scintillation screen based on (C22H22O2P)2MnBr4 was fabricated and utilized to investigate internal structures of various objects. The screen demonstrates a high relative light yield of 70546 photons MeV−1, a low detection limit of 33.8 nGy air s−1, and a spatial resolution of up to 12.36 lp mm−1. Finally, by integrating the scintillation screen with a thin-film transistor (TFT) backplane, the resulting X-ray detector successfully enables simulated medical imaging of dental caries. This work establishes a robust foundation for large-scale synthesis of highly efficient luminescent Mn(II) halides and highlights their potential in multifunctional light-emitting applications.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3976-x

Entropy stabilization and effect of A-site ionic size in bilayer nickelates

The discovery of high-temperature superconductivity in bilayer nickelate La3Ni2O7−δ (La-327) under high pressure and in thin films at ambient pressure has opened new avenues in superconductivity research. However, La-327 exhibits a narrow phase stability range, leading to stacking faults that suppress bulk superconductivity. Chemical substitutions, particularly at the A-site with smaller rare-earth ions, have been shown to enhance phase purity and reduce stacking faults, while also increasing the orthorhombic distortion and chemical pressure. In this work, we apply the high-entropy (HE) strategy to stabilize the 327 phase with reduced average A-site ionic radius (rA). We successfully synthesized medium-entropy La1.2Pr0.6Nd0.6Sm0.6Ni2O7−δ (ME-327) and high-entropy La0.67Pr0.67Nd0.67Sm0.33Eu0.33Gd0.33Ni2O7−δ (HE-327) polycrystalline samples. These compositions satisfy medium- and high-entropy criteria, with rA values of 1.181 Å and 1.164 Å, respectively. The samples are phase-pure and homogeneous. HE-327 exhibits the lowest cell volume, largest orthorhombicity, and shortest interlayer Ni-Ni distance among reported bilayer nickelates. Physical property measurements reveal low electrical conductivity and a high density-wave (DW) transition temperature. Under high pressure, HE-327 shows a resistivity anomaly at 103 K under 31 GPa, suggesting a possible superconducting transition. Extrapolation indicates that Tc under high pressure exceeds 100 K for HE-327, correlating with reduced rA and enhanced interlayer coupling. Our results demonstrate the ionic size effect and the effectiveness of the HE approach in stabilizing bilayer nickelates, providing a new avenue for developing superconducting materials.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(25)60628-1

MoO2(acac)2-encapsulated in TS-1 zeolite catalyst for CO2 coupling with olefins to cyclic carbonates

The coupling of CO2 with olefins to produce cyclic carbonates has emerged as an important research topic in sustainable chemistry, owing to its high atom economy and the wide applicability of the resulting products. However, this reaction faces a significant challenge due to the mismatch between the rates of the epoxidation and cycloaddition steps. In this work, a series of TS-1 zeolite catalysts encapsulating different amounts of molybdenum acetylacetonate were prepared through hydrothermal synthesis followed by post-treatment, with the aim of elucidating the rate balance between the epoxidation and cycloaddition steps and the underlying regulation mechanism. Characterization results show that the Mo species were present as highly dispersed molybdenum acetylacetonate complexes that were stably confined within the TS-1 framework. These complexes interact electronically with the tetra-coordinated Ti sites to form synergistic active centers, while imposing negligible effects on the zeolite structure and porosity. In the CO2-styrene coupling reaction, tuning the Mo loading enabled effective control over the epoxidation rate, thereby achieving an appropriate balance with the subsequent cycloaddition step. The optimized catalyst delivered excellent performance under mild conditions, with a styrene conversion of 83.4% and a selectivity of 75.3%, and also exhibited outstanding recyclability. Overall, this encapsulated catalyst successfully addresses the dual challenges of rate matching and active-site stability in CO2–olefin coupling, providing valuable insights for the rational design of efficient, durable bifunctional catalysts.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4107-x

Quaternary Ammonium-Mediated I+ Complexation for Stable High-Energy Four-Electron Aqueous Fiber Zinc-Iodine Batteries

Aqueous fiber zinc-iodine batteries (FZIBs) with four-electron redox exhibit inherent safety and high energy density for wearable electronics. Nevertheless, their practical implementations are hindered by unsatisfactory cycling stability and low realistic energy density, mainly caused by severe H2O-induced nucleophilic attack toward iodine species and poor zinc anode reversibility. Here, we report a quaternary ammonium-mediated coordination strategy to simultaneously address the irreversible cathode/anode redox behavior and thus promote the electrochemical performance of four-electron FZIBs. The cationic choline ion (Ch+) induces complexation with ICl2− via electrostatic interaction, homogenizing the electron cloud density and suppressing irreversible hydrolysis of I+ species, enabling a reversible near-theoretical high capacity of 418.3 mAh g−1. Meanwhile, preferentially adsorbed Ch+ on the zinc anode surface creates positively charged shielding layers, mitigating the tip effect caused by localized electric field and achieving robust zinc stripping/plating. The enhanced cathode/anode reversibility and improved interfacial stability enable stable FZIBs operation for over 20,000 cycles at 20.0 A g−1. Moreover, successful integration of FZIBs into electronic textiles with glucose and cardiac rhythm sensors demonstrates great potential for next-generation wearable electronics.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025050803

Experimental Study of Drag Reduction with Surfactants in Porous Media for Coal Seam Water Injection

This study systematically investigates the synergistic drag reduction mechanism of surfactants and porous media in coal seam water injection. Four surfactant types—cationic CTAB, anionic SDBS, amphoteric BS-12, and nonionic OP-10—were tested with five porous media pore sizes (3–12 mm) using a custom-built all-in-one drag reduction test system. The effects of surfactant type, mass concentration, driving frequency, and pore diameter on drag reduction efficiency were evaluated. Results show that in an empty tube, drag reduction efficiency increases with mass concentration. As driving frequency increases, drag reduction first rises then falls, peaking at 35 Hz. With porous media, drag reduction exhibits pore size dependence, reaching a maximum at 8 mm and decreasing thereafter. The composite surfactant-porous media system achieves synergistic enhancement over single systems. At 0.05% mass concentration, all surfactants attain maximum drag reduction, with CTAB showing the highest efficiency. Optimal conditions (0.05% CTAB, 35 Hz, 8 mm pore size) yield a drag reduction rate of 66.14%, a 1.4-fold improvement over 20 Hz. These findings demonstrate that tailoring surfactant and porous media parameters can significantly optimize coal seam water injection efficiency, offering a practical approach for dust control in mining.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202608002

Integration of Carbon Capture, Utilization and Storage with Molten Salt Thermal Energy Storage and Microalgal Carbon Fixation for Circular Development in the Thermal Power Sector

Under the synergistic policy framework of carbon peaking, carbon neutrality, and the circular economy, existing carbon capture, utilization, and storage (CCUS) projects in coal-fired power plants (CFPPs) face significant challenges, including high regeneration energy demand, reliance on turbine steam extraction, limited carbon utilization pathways, poor economic viability, and difficulties in by-product management. This study proposes an integrated low-carbon retrofitting strategy that couples molten salt thermal energy storage (TES) and microalgal carbon fixation systems with existing CCUS facilities under minimal plant modification. A closed-loop carbon and energy utilization framework is established, integrating waste heat recovery, primary CO2 capture, secondary biological carbon fixation, and biomass fuel recycling. The system operates through a gradient synergistic mechanism: (i) recovered waste heat is stored in a molten-salt TES unit to provide regeneration energy, replacing conventional steam extraction; (ii) CO2 is initially captured by the CCUS process; (iii) residual CO2 is further utilized by microalgae for deep carbon fixation; and (iv) harvested algal sludge is converted into biomass fuel for co-firing within the power plant, completing the carbon recycling loop. The technical architecture, coupling mechanisms, scenario-specific implementation pathways, and operational risk control strategies are systematically evaluated. Results indicate that the integrated system can reduce energy consumption by approximately 30%–40% per unit of CO2 captured, increase overall carbon fixation efficiency by 15%–20%, and shorten the investment payback period to less than five years. The framework enables transformation of conventional coal-fired power plants from single-purpose energy producers into multifunctional circular systems integrating energy generation, carbon cycling, and resource recovery. Owing to technological maturity, adaptability to different plant capacities and geographical conditions, and a clear deployment roadmap, this solution provides a practical, replicable, and scalable pathway for low-carbon and circular transition.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4091-4

Bridging the scalability-stability gap in perovskite photovoltaics via solution-processed coating

Perovskite photovoltaics offer exceptional promise for next-generation solar energy, yet their commercialization is impeded by a critical scalability-stability gap: scalable solution-processed coating methods introduce distinct fluid dynamics and crystallization kinetics, yielding varied film morphologies and unstable degradation behaviors. This review addresses this challenge by re-examining stability exclusively through scalable solution-based fabrication. Degradation mechanisms in scalable processing are dissected, emphasizing precursor ink design—solute purity, ink aging, and solvent engineering—which collectively govern film uniformity and reproducibility. Intrinsic instabilities exacerbated under scalable processing are analyzed via crystal and compositional design, defect generation and passivation, and ion migration in large-area devices. Stable device architectures suitable for scalable manufacturing are explored, comparing n-i-p and p-i-n configurations and advancements in charge transport layers. Encapsulation is critically evaluated as the ultimate barrier for commercial modules, covering scalable techniques and material selections, alongside an assessment of operational stability under real-world environments including moisture ingress, thermal cycling, and UV-induced degradation. By integrating these insights, this review establishes a holistic framework for co-designing process scalability and operational longevity, outlining a coherent pathway toward durable and commercially viable perovskite solar modules.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4004-3

Boosting oxygen evolution through asymmetric CoIII–O–MoV motif-modulated spinel active sites

The development of efficient and stable oxygen evolution reaction (OER) electrocatalysts is critical for clean energy technologies, yet conventional cobalt-based spinel catalysts often suffer from insufficient activity and structural instability under operating conditions. To address these challenges, this study proposes and constructs a cation-ordered spinel-like catalyst (HVI Metal-CoMoO4/NF). The unique crystalline framework induces significant Jahn-Teller distortion and pre-stabilizes a Co2+/Co3+ mixed-valence state at the cobalt active centers via asymmetric Co–O–Mo bridges, effectively optimizing bulk charge transport. Electrochemical tests demonstrate that its performance significantly surpasses that of benchmark materials, requiring only an overpotential of 307 mV to drive a current density of 100 mA cm−2 in 1.0 M KOH, with a Tafel slope of 63.13 mV dec−1, maintaining stable operation for over 320 h at high current density. Crucially, our structural and in situ characterization results clearly reveal a stable and well-crystallized reconstruction behavior from the surface into the bulk of the spinel-like pre-catalyst during the OER. This work fundamentally addresses the challenges of disordered reconstruction and unstable active phases in traditional spinel catalysts, providing a paradigm for regulating the dynamic evolution of electrocatalysts through precise structural design.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4007-x

Boosting Output Performance in Hydrogel-Based Moisture-Electric Generators via Tunable Solvent Interactions

Hydrogels, with their hydrophilicity, flexibility, and environmental friendliness, are highly desirable for moisture-electric generators (MEGs) that harness ubiquitous moisture to generate electrical energy. As the active material layer in MEGs, hydrogels play a crucial role in absorbing atmospheric moisture and converting chemical potential energy into electricity. However, the relatively low output current of the device and the instability of hydrogels pose challenges to the development of high-performance hydrogel-based MEGs. Herein, we introduce a straightforward, feasible, cost-effective, and versatile two-step solvent displacement strategy to overcome the barrier associated with the development of MEGs. Through tunable solvent interactions of glycerol and water, the moisture absorption capability and stability of the hydrogel can be improved, while promoting favorable ion migration. Such an effective processing route not only significantly boosts the output performances but also greatly improves the long-term durability of hydrogel-based MEGs. Notably, the current output and power density of the treated MEGs can increase by up to two orders of magnitude. The mechanisms behind the intriguing observation are investigated by various characterizations and theoretical calculations. This universal strategy holds promise to be extended to various hydrogel-based MEGs. Moreover, the MEGs can be used for energy harvesting, self-powered respiratory monitoring, and non-contact humidity detection. This work offers new opportunities for advancing green energy and self-powered technologies.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4096-7

Rapid Room-Temperature Functionalization of Boron Nitride via Catalytic Hydrosilane Grafting: Surface Engineering and Mechanistic Insights

Hexagonal boron nitride (h-BN) nanomaterials exhibit exceptional properties but suffer from severe aggregation due to undesirable surface characteristics, limiting their application in polymer nanocomposites. Existing covalent functionalization methods often compromise between time efficiency, energy consumption, and structural integrity. This study presents a rapid, room-temperature catalytic grafting strategy using tris(pentafluorophenyl)borane (B(C6F5)3) to functionalize h-BN nanoflakes bearing edge hydroxyl groups. The reaction between B–OH groups and activated Si–H bonds of hydrosilanes proceeds under mild conditions, preserving the structural integrity of h-BN. Density functional theory (DFT) calculations confirm the catalytic feasibility and elucidate two possible reaction pathways: backside-attack and flank-attack mechanisms. The modified h-BN exhibits significantly improved dispersibility in low-polarity solvents and tunable surface properties. This efficient method offers a versatile platform for h-BN surface engineering, facilitating broader practical applications.