SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4420-7
Cu2-xSe is a leading p-type thermoelectric material owing to its phonon-liquid electron-crystal (PLEC) behavior, yet the atomic-scale mechanisms governing Cu+ migration remain unresolved. This study employs in situ high-resolution neutron diffraction coupled with maximum entropy method (MEM) analysis to map the temperature-dependent evolution of Cu+ nuclear density in β-Cu2Se and β-Cu1.95Se. At 398–423 K, intra-tetrahedral Cu 8c ↔ 32f <111> hopping emerges, with isosurface values of 0.505 fm Å-3 for β-Cu2Se and 0.484 fm Å-3 for β-Cu1.95Se. Above 448 K, inter-tetrahedral pathways form via Cu 32f ↔ 32f <100> or 32f ↔ 4b ↔ 32f <111> migration, as revealed by line scans along [1̅11̅] up to 723 K. The presence of Cu vacancies (x = 0.05) alters the onset and connectivity of these pathways, directly impacting phonon scattering and electron transport. These findings establish a structural basis for controlling Cu+ mobility, offering a rational route to mitigate Cu precipitation and enhance zT stability beyond 1.5 at 900 K. The work bridges microstructural dynamics and thermoelectric performance, providing critical guidance for defect engineering in superionic thermoelectrics.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4493-8
Metal halide perovskite photovoltaics have achieved power conversion efficiencies rivaling crystalline silicon, yet their transition from laboratory-scale devices to commercial deployment requires a paradigm shift toward application-specific engineering and macroscopic system integration. This review systematically evaluates the customized deployment of perovskite solar cells (PSCs) across diverse operational theaters, including building-integrated photovoltaics (BIPV), portable Internet of Things (IoT) systems, agricultural photovoltaics (Agri-PV), vehicle-integrated photovoltaics (VIPV), utility-scale tandems, and extreme space environments. Despite these opportunities, critical challenges persist in translating laboratory achievements into industrial-scale production. We critically evaluate primary bottlenecks hindering gigawatt-scale commercialization, focusing on the performance gap inherent in large-area manufacturing. Additionally, we analyze intrinsic material instabilities driven by dynamic ion migration and multi-scale lattice strain under realistic outdoor conditions. To conclude, we outline a strategic roadmap for overcoming these barriers, emphasizing lattice strain regulation, rigorous dynamic environmental testing protocols, and comprehensive sustainable lifecycle management. By synergizing mechanistic insights with scalable manufacturing and ecological assessments, this review provides a holistic framework to accelerate the ubiquitous commercialization of customizable, stable, and high-efficiency perovskite energy systems.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3803-8
The molecular copolymerization of donor-acceptor (D-A) interactions has been effectively utilized to modulate the charge transfer dynamics in polymeric carbon nitride (PCN) photocatalysts. Herein, a D-A configured photocatalyst (TPCN) was constructed by copolymerizing 4,4’,4’’-(1,3,5-triazine-2,4,6-triyl) trianiline (TAPT) as the electron donor with triazine units (electron acceptor). The unique propeller structure of TAPT, combined with the triazine framework, expanded the π-conjugated system and induced a strong built-in electric field (BIEF) across the D-A configuration. Theoretical calculations and transient absorption spectroscopy revealed that this synergistic effect facilitated intramolecular charge separation and widened the range of light absorption, indicating accelerated charge transfer and suppressed recombination in TPCN. The optimized TPCN3 sample exhibited dramatically enhanced photocatalytic H2O2 production (1.74 mmol g−1 h−1), representing a 13.4-fold increase over pristine PCN. Additionally, the TPCN3 sample also exhibited significantly faster degradation kinetics than PCN counterpart toward various emerging contaminants. This work demonstrates a promising strategy for designing efficient metal-free photocatalysts for sustainable H2O2 production and environmental remediation.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3679-8
Idiopathic pulmonary fibrosis (IPF) is a chronic interstitial lung disease with high mortality and limited therapeutic options. Dysregulated macrophage polarization drives fibroblast activation and epithelial-mesenchymal transition (EMT), yet no effective management exists. Here, we develop an inhalable methane nanocapsule (MNC) that spatiotemporally controls methane release in the lung to remodel the fibrogenic microenvironment. MNC is formulated via self-assembly of biodegradable poly(lactic-co-glycolic acid)-polyethylene glycol (PLGA-PEG) and a novel acid-responsive methane prodrug Fe(BPY)2(CH3)2, enhancing mucosal penetration and sustained methane release in acidic inflammatory niches. In a bleomycin (BLM)-induced pulmonary fibrosis model, MNC inhalation achieves efficient lung deposition and sustained methane release, significantly reducing inflammation, ameliorating fibrosis, and improving lung function without systemic side effects. Mechanistically, MNC rebalances macrophage polarization by inhibiting M2 phenotype overexpression and downregulates the MMP9/TIMP-1 ratio to suppress myofibroblast proliferation and EMT, synergistically halting fibrotic progression. This inhalable methane nanocapsule offers a promising strategy for safe and effective IPF treatment.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3773-7
Kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cells suffer from significant open-circuit voltage (VOC) deficits due to severe interfacial and bulk recombination, restricting their power conversion efficiency (PCE) far below the Shockley-Queisser limit. This work proposes a low-temperature annealing strategy during ITO sputtering (SA) to synergistically address these challenges. The temperature applied during ITO sputtering not only improves the crystallinity, carrier concentration, and optical transmittance of the ITO layer but also promotes the diffusion of In from ITO into both CdS and CZTSSe layers. Consequently, lattice matching at the CZTSSe/CdS interface is optimized, enabling epitaxial growth. And a favorable ITO/In:CdS/In&Cd:CZTSSe structure with optimal band alignment is obtained. As a result, a champion device with a PCE of 14.29% was achieved. The SA-treating also enabled the CZTSSe solar cells to achieve the highest VOC reported to date, exceeding 590 mV. This underscores the essential role of SA processing in optimizing interface engineering and suppressing defects, thus promoting the development of low-cost, high-performance kesterite photovoltaics.
Journal of Fuel Chemistry and Technology•2026•DOI: 10.3724/2097-213X.2025.JFCT.0025
Endogenous alkali and alkaline earth metals (AAEMs) in biomass ash and pyrolysis temperature significantly influence the properties of pyrolysis polygeneration products. This study selected potassium (K+) and calcium (Ca2+) as representative AAEMs, added them at mass ratios of 2%, 5%, and 7% to corn stover via impregnation, and conducted fixed-bed pyrolysis at 400, 500, and 600 °C to investigate the yields and compositions of gas, liquid, and solid products. Results showed that increasing metal ion concentration significantly increased biochar yield, with Ca2+ at 7% achieving 24.96% biochar yield, while bio-oil yield generally decreased. Ca2+ strongly promoted H2 formation due to its Lewis acidity, reaching 32.49% in gas at 7% concentration, and facilitated furan enrichment to 65.88%. K+ at low concentrations favored phenolic formation, while high concentrations promoted ketones and intensified bio-oil cracking. Increasing temperature from 400 to 600 °C decreased biochar yield and increased gas yield, with high temperatures enhancing secondary cracking and reforming, significantly raising H2 and CH4 yields while suppressing oxygenates. At 600 °C, K+ catalysis increased acids to 39.41%, while Ca2+ maintained furans at 65.89%. This study demonstrates that adjusting metal ion concentration and temperature enables directional regulation of high-value bio-oil components and high-energy gases, providing a theoretical basis for optimized biomass pyrolysis utilization.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2025112601
The pervasive presence of tetracycline (TC) in aquatic environments poses significant ecological and public health risks. This study reports the synthesis of MIL-101-Bim, a covalently modified metal-organic framework (MOF), via a pre-modification strategy that introduces formyl groups into the MIL-101(Cr) framework (MIL-101-CHO), followed by Schiff base condensation and NaBH4 reduction to graft benzimidazole moieties. Powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM) confirmed retention of the parent MIL-101(Cr) topology. Fourier-transform infrared (FT-IR) spectroscopy verified successful functionalization. 1H NMR analysis of digested MIL-101-Bim revealed a benzimidazole modification degree of 41%, with 32% of formyl groups reduced to hydroxymethyl and 27% remaining unreacted. Thermogravimetric analysis (TGA) demonstrated good thermal stability. Nitrogen adsorption-desorption measurements showed a specific surface area of 1361 m2·g−1 and pore sizes ranging from 1 to 2.3 nm. Adsorption kinetics for TC on both materials followed a pseudo-second-order model, and isotherm data fitted the Langmuir model. The theoretical maximum adsorption capacity of MIL-101-Bim for TC was 86.31 mg·g−1, significantly higher than that of MIL-101-CHO (39.56 mg·g−1). Zeta potential measurements indicated optimal adsorption performance at pH 5–8. X-ray photoelectron spectroscopy (XPS) provided evidence of hydrogen bond formation during adsorption. The adsorption mechanism involves both physical adsorption (pore filling, electrostatic interactions, π-π stacking) and chemical adsorption (weak hydrogen bonding). Regeneration studies showed that MIL-101-Bim retained an adsorption capacity of 46.93 mg·g−1 after five cycles, demonstrating promising reusability.
Journal of Environmental Engineering Technology•2026•DOI: 10.13205/j.hjgc.202606007
Cobalt-aluminum spinel metal oxides derived from hydrotalcite were synthesized via hydrothermal, coprecipitation, and sol-gel methods, and their catalytic performance for NO oxidation was systematically evaluated. Characterization by X-ray photoelectron spectroscopy (XPS), O2 temperature-programmed desorption (O2-TPD), H2 temperature-programmed reduction (H2-TPR), and Raman spectroscopy revealed that the synthesis method significantly influences the surface Co2+/Co3+ ratio, which in turn modulates the formation of surface oxygen vacancies. The hydrothermally synthesized catalyst (CoAlO-H) exhibited the highest density of surface oxygen vacancies, leading to enhanced adsorption and activation of gaseous oxygen and superior NO oxidation activity compared to coprecipitation (CoAlO-C) and sol-gel (CoAlO-S) counterparts. Mechanistic studies using NO-TPD, NO+O2-TPD, and in situ diffuse reflectance infrared Fourier transform spectroscopy (in situ DRIFTS) identified nitrates as key intermediates. Notably, CoAlO-C and CoAlO-S followed the Langmuir-Hinshelwood (L-H) mechanism, whereas CoAlO-H operated via both L-H and Mars-van Krevelen (MvK) mechanisms. The exceptional performance of CoAlO-H is attributed to its abundant surface oxygen vacancies, high surface oxygen mobility, and low decomposition temperature of reaction intermediates. These findings provide a rational basis for designing efficient non-precious metal catalysts for NO oxidation in diesel exhaust aftertreatment.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3787-x
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.
Chinese Journal of Environmental Engineering•2026•DOI: 10.12030/j.cjee.202509004
Acetone, a widely used solvent in the pharmaceutical industry, poses environmental and economic challenges due to its high volatility and the low concentration of acetone in water-based absorbents, which complicates recovery. This study proposes a composite absorbent comprising 1,4-butanediol (BDO), triethylene glycol, sodium citrate, and water, aiming to enhance acetone absorption capacity and enable cost-effective resource recovery. Response surface methodology optimized the absorbent composition to BDO 35%, triethylene glycol 10%, and sodium citrate 5%, achieving an acetone absorption capacity of 51.97 g·kg−1, which is 2.39 times that of pure water (21.77 g·kg−1). Density functional theory (DFT) calculations and AIM topological analysis revealed that BDO forms stronger hydrogen bonds with acetone, characterized by shorter bond lengths and higher electron density, underpinning its superior molecular recognition and absorption capability. Process simulation of absorption-regeneration cycles demonstrated that, compared to pure water, the composite absorbent reduces absorbent consumption by 36.2% and regeneration energy consumption by 41.15% while achieving effluent acetone concentrations below 100 mg·m−3. This multi-scale investigation, spanning macroscopic experiments, molecular mechanisms, and process simulation, validates the feasibility and advantages of BDO-based composite absorbents for VOC control, providing theoretical and data support for the engineering application of alcohol-based absorbents in efficient organic pollutant separation.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2025032704
Chlorogenic acid (CGA), a key component of the anti-COVID drug Lianhua Qingwen, is recalcitrant to biodegradation and tends to bioaccumulate, posing risks to aquatic ecosystems. Conventional water treatment methods are inadequate for its removal. This study investigated the degradation of CGA using a magnetic field coupled Fe-C activated persulfate (MF/Fe-C/PS) advanced oxidation process. The degradation efficiencies of Fe-C, PS, Fe-C/PS, and MF/Fe-C/PS systems were compared, and the dominant reactive species and their contributions were identified. The effects of initial pH, persulfate (PS) concentration, Fe-C dosage, and inorganic anions on degradation kinetics were examined, along with the degradation pathway and disinfection byproduct (DBP) formation potential. Results showed that MF/Fe-C/PS achieved 99% degradation of CGA within 60 min under optimal conditions: pH=3, PS concentration 1.5 mmol·L−1, and Fe-C dosage 0.4 g·L−1. Coexisting Cl−, Br−, and I− inhibited CGA oxidation to varying degrees, as did natural organic matter (FA and BAS). The reactive species SO4−·, ·OH, and 1O2 contributed 41.6%, 30.5%, and 27.9%, respectively. Degradation mechanisms included hydrolysis, dehydroxylation, decarboxylation, and benzene ring cleavage. Pre-oxidation by MF/Fe-C/PS significantly reduced the DBP formation potential during subsequent chlorination/chloramination. Energy per order (EE/O) analysis indicated favorable economic efficiency.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3951-4
Silicon anodes offer an ultrahigh theoretical capacity (4200 mAh g−1) but suffer from >300% volumetric expansion during cycling and unstable solid electrolyte interphase (SEI) formation, leading to rapid capacity fading. Here, we design a hierarchical composite p-cSi@aSi@MgSiN2@C featuring a porous crystalline-amorphous silicon core (p-cSi@aSi), an in-situ MgSiN2 transition layer, and an outer nitrogen-doped carbon shell. The 3D interconnected pores accommodate volume expansion, while amorphous silicon enables isotropic lithiation-induced strain, eliminating crystalline phase transition barriers. The MgSiN2 layer transforms into a tough Li3N-rich SEI with ultra-fast ion channels, and the carbon shell provides mechanical confinement and electronic conductivity. This synergistic interface engineering achieves an initial coulombic efficiency (ICE) of 81.4%, a charge transfer resistance of 16.4 Ω after 200 cycles (64% reduction), and a Li+ diffusion coefficient of 1.72×10−11 cm2 s−1. The anode delivers 1719.3 mAh g−1 at 0.2 C after 200 cycles and 823.8 mAh g−1 at 0.5 C after 500 cycles. The molten salt electrolysis synthesis achieves a current efficiency of 68.12% and specific energy consumption of 12.76 kWh kg−1, with an estimated electricity cost of 1154.69 USD ton−1, only 20% of commercial Si/C anodes. This work resolves the ICE-cycle life trade-off and provides a scalable, cost-effective approach for next-generation high-energy batteries.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4184-6
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 Materials•2025•DOI: 10.1007/s40843-024-3321-5
Phosphorescent iridium(III) complexes are pivotal for high-efficiency organic light-emitting diodes (OLEDs), yet solution-processable systems with high photoluminescence quantum yields (PLQYs) and balanced charge transport remain scarce. This study reports three orange-emitting Ir(III) complexes, (4-tfmptp)2Ir(pic), (4-tfmptp)2Ir(3-ppca), and (4-tfmptp)2Ir(3-iqca), employing the rigid 4-tfmptp (4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine) as the primary ligand and picolinic acid (pic), pyrrolo[1,2-c]pyrimidine-3-carboxylic acid (3-ppca), or isoquinoline-3-carboxylic acid (3-iqca) as auxiliary ligands. While emission peaks remain at approximately 568 nm, the PLQYs in CH2Cl2 increase dramatically from 53.6% for the pic-based complex to 93.6% and 97.2% for the 3-ppca and 3-iqca analogues, respectively. Solution-processed OLEDs fabricated with these emitters achieve maximum current efficiencies of 74.2 cd A−1 and 91.4 cd A−1, and maximum external quantum efficiencies (EQEmax) of 27.8% and 31.4% for the 3-ppca and 3-iqca devices, respectively. These results demonstrate that auxiliary ligand modification substantially enhances the photophysical properties of Ir(III) complexes, enabling high-performance solution-processed phosphorescent OLEDs.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3395-4
Magnetic transition metal dichalcogenides (TMDs) offer intrinsic spin polarization for spintronic devices, yet ferromagnetic TMDs remain scarce. The theoretically predicted nontrivial topological 1T NbTe2 is thermodynamically unstable relative to the 1T′ phase under ambient conditions, impeding its spintronic application. Heteroatom doping can stabilize the 1T phase and introduce magnetism. We synthesized Nb1−xCrxTe2 (x = 0, 0.1, 0.2, 1/3, 0.4) crystals and discovered the 1T Nb2/3Cr1/3Te2 phase. Cr doping induces a 1T′-to-1T structural transition in NbTe2. Density functional theory confirms the thermodynamic stability of 1T Nb2/3Cr1/3Te2. Magnetic measurements reveal a transition from diamagnetic to ferromagnetic behavior with increasing Cr content. The ferromagnetism in 1T Nb2/3Cr1/3Te2 originates primarily from localized Cr 3d electrons, achieving a Curie temperature (TC) of 254 K, surpassing most Cr-based van der Waals ferromagnets. The compound exhibits metallic behavior coexisting with the Kondo effect and a positive magnetoresistance of 32.1% at 2 K under μ0H = 9 T. This work unveils a doping-induced phase transition mechanism and provides a new layered ferromagnetic material for spintronic devices.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3577-4
Broad-absorbing materials, characterized by tunable absorption across ultraviolet to mid-infrared spectral regions, have emerged as a crucial class of optoelectronic materials. Significant advances have been achieved in organic and inorganic materials; however, current enhancement strategies remain largely platform-specific and are not guided by a unified physical framework. To address this gap, this review introduces a three-factor physical model grounded in the theory of transition probability, thereby providing a consistent theoretical basis for understanding how electronic transitions are modulated across orbital, vibrational, and spin dimensions. Structure-mechanism-performance relationships are systematically examined in classic material platforms. In addition, the contributions of external-field enhancement mechanisms, such as plasmonic resonance, to spectral broadening and local-field enhancement are discussed. Based on clear mechanistic insight and targeted materials design, recent advances in integrating broad-absorbing materials into broadband photodetectors are highlighted, emphasizing their practical relevance. The review examines the three core challenges and mechanism-driven design strategies for high-performance broadband optoelectronic systems, providing an instructive outlook for future advancements.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3593-5
Organic ultrathin crystals, comprising monolayers or a few molecular layers, exhibit outstanding optoelectronic properties and have shown great promise for constructing advanced functional neuromorphic devices. However, scalable growth of high-quality organic ultrathin crystals and their seamless concurrent integration with charge trapping layers for multi-mode neuromorphic devices, that required in future high-density neuromorphic integration, remain challenging. Here, we present a scalable one-step fabrication strategy based on solution shearing, where spontaneous vertical phase separation of a small-molecule/polymer (Ph-BTBT-10/PS) blend enables the simultaneous formation of high-quality ultrathin Ph-BTBT-10 crystals and an electret PS charge-trapping layer. The PS electret layer serves a dual function: it facilitates the formation of ultrathin, highly ordered Ph-BTBT-10 crystals; meanwhile, its gate-tunable electron-trapping capability enables dynamic switching between photo-switching and photo-synaptic modes within a single device. As a photodetector, the device exhibits exceptional performance, including a responsivity of 4.7 × 10^4 A/W, specific detectivity of 2.2 × 10^17 Jones, and photosensitivity of 1.5 × 10^8. Under negative gate bias, light-triggered switching behavior enables logic gate demonstration, while under positive gate modulation, photonic synaptic behavior successfully emulates key biological functions, including excitatory post-synaptic current (EPSC), paired-pulse facilitation (PPF), short-term plasticity (STP) to long-term plasticity (LTP) transition, dynamic learning-forgetting processes, and image processing. Moreover, the system exhibits excellent compatibility with low-voltage flexible substrates and further demonstrates its application in low-consumption flexible neuromorphic devices. This work provides a scalable route toward high-performance, multifunctional neuromorphic optoelectronics based on organic ultrathin crystals, and advances the integration of flexible electronics and brain-inspired computing.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3563-0
Organic cocrystals have become increasingly prevalent in various research domains owing to simple preparation, cost-effectiveness, and highly tunable properties. Strong charge transfer (CT) interactions in cocrystals render them promising candidates for high-efficiency photothermal conversion materials. However, the majority of reported organic photothermal cocrystals exhibit planar and rigid π-conjugated structures, which restrict molecular vibrations while simultaneously impeding non-radiative dissipation processes—ultimately hindering the enhancement of photothermal conversion performance. Herein, we design a novel non-planar photothermal NMTQ cocrystal, which shows a broadband absorption range of 220–2000 nm and high photothermal conversion efficiencies from ultraviolet (UV) to near-infrared (NIR)-II region. Quantum chemical calculations demonstrate that the distorted butterfly-like conformation in NMTQ is conducive to non-radiative transitions via higher non-adiabatic couplings (NACs) and lower spatial overlap integral (Sr). An interfacial solar evaporation system was constructed using NMTQ cocrystals, achieving an evaporation rate of 2.158 kg m−2 h−1 with 94.96% solar-to-vapor conversion efficiency under 1 Sun irradiation. The photothermal platform demonstrated simultaneous contaminant removal functionality, establishing a sustainable strategy for clean water production through rational photothermal material design.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3525-6
Alloying Pt with non-noble metals optimizes Pt-based electrocatalyst activity, yet random elemental distribution and weak interatomic bonding in disordered alloys limit stability and performance. This study reports a superlattice-ordered Pt2CoNi intermetallic nanocatalyst with abundant surface microstrain for bifunctional hydrogen electrocatalysis. The ordered crystalline structure enforces alternating Pt and Co/Ni atomic arrangements, while multiple Pt2CoNi grains with differing orientations generate microstrain due to intermetallic lattice parameter mismatch. This structure modulates electron distribution, downshifts the d-band center, and accelerates hydrogen adsorption/desorption. The catalyst achieves a hydrogen evolution reaction mass activity of 1.02 A/mg Pt with only 3.7 mV overpotential variation after 10,000 cycles, and a hydrogen oxidation reaction kinetic mass activity of 4.08 A/mg Pt with 97.3% activity retention after 12 h at 0.1 V vs. RHE. These metrics substantially exceed conventional Pt/C benchmarks, addressing the dual challenges of low mass activity and poor durability in proton exchange membrane electrolyzers and fuel cells. The work establishes a rational design route for durable, high-performance intermetallic nanocatalysts via controlled crystal structure engineering.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3619-1
Inflammation and ischemic microenvironments represent significant challenges in cardiac repair. To address these issues, a series of dual-dynamically crosslinked alginate-based hydrogels (SA-PBA/E/Sr) containing strontium ions (Sr2+) and epigallocatechin gallate (EGCG) were developed, demonstrating microenvironment modulation and angiogenic capabilities in the myocardial infarction (MI) microenvironment. In the SA-PBA/E/Sr hydrogel system, alginate modified with aminophenylboronic acid (PBA) was synthesized to form boronic acid ester bonds with EGCG and an ionic coordination network with Sr2+ ions. The resulting hydrogel exhibits excellent injectability due to its dual-dynamically crosslinked structure, with its formation and mechanical properties being tunably modulated by the PBA substitution degree, EGCG concentration, and Sr2+ content. The incorporation of EGCG enables the hydrogel to efficiently scavenge reactive oxygen species (ROS) and mitigate oxidative stress-induced cellular damage under hypoxia. Furthermore, the introduction of Sr2+ significantly enhances the migratory capacity of endothelial cells, a critical factor in angiogenesis. In vivo experiments revealed that the injection of SA-PBA/E/Sr hydrogel into the infarcted myocardium of Sprague-Dawley (SD) rats led to reduced ROS levels, alleviated inflammatory responses, suppression of pro-inflammatory M1 macrophage expression, enhancement of anti-inflammatory M2 macrophage expression, and accelerated neovascularization in the damaged tissue. Echocardiographic and histological analyses demonstrated a remarkable increase in ejection fraction and a decreased infarct size, collectively indicating significant cardiac functional recovery.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3492-6
The microstructure and composition of electrocatalysts critically govern oxygen evolution reaction (OER) performance. This study reports a controlled self-template synthesis of hollow CoNiFe Prussian blue analogues (PBAs) and their phosphide derivatives with enhanced OER activity. Cobalt-nickel basic acetates with tunable metal ratios were first synthesized via a solvothermal method, followed by anion exchange with potassium hexacyanoferrate to form CoNiFe-PBAs, and subsequent phosphorization to obtain hollow CoNiFe phosphides (CoNiFe-PBA-Ps). Among these, the Co3Ni1Fe composition exhibits an optimal combination of reduced particle size and hollow architecture, resulting in more exposed active sites and increased electrolyte accessibility. The final Co3Ni1Fe-PBA-P displays a low overpotential of 273 mV at 10 mA cm−2 and a Tafel slope of 59 mV dec−1, outperforming other CoxNiyFe-PBA-Ps and many reported Co, Ni, Fe-based electrocatalysts. DFT calculations confirm that the improved activity stems from lower energy barriers of key OER intermediates. This work provides a versatile strategy to design multi-metallic hollow nanostructures with small particle size, offering new insights into the development of high-performance electrocatalysts.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3516-2
Iron-based mixed phosphates are considered promising cathode materials for sodium-ion batteries (SIBs) due to low cost, non-toxicity, and high structural stability. However, their electrochemical performance is limited by poor electronic conductivity and sluggish ion diffusion. This study presents Na4Fe3(PO4)2(P2O7) with porous coral-like S-doped carbon (NFPP-U0.5%) as cathode material for SIBs. The porous coral-like structure of the S-doped carbon layer, along with C–S–Fe interaction, significantly enhances electronic conductivity and sodium ion diffusion. NFPP-U0.5% delivers excellent rate performance, achieving 80.3 mAh g−1 at 20 C. In-situ X-ray diffraction analysis reveals that the C–S–Fe interaction, combined with the unique carbon structure, contributes to a small lattice volume change during cycling. NFPP-U0.5% reached an ultra-long cycling life with capacity retention of 82.66% after 25,000 cycles at 20 C. The outstanding electrochemical performances and unique interface interaction demonstrate that S-doped carbon coating NFPP is of high potential as a cathode material for low cost and long-lasting cyclability energy storage systems.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3505-0
The synthesis of phase-pure 1T-WS2 remains a persistent challenge due to the thermodynamic metastability of the octahedral phase and the absence of a mechanistic understanding of the 2H-to-1T transformation at the atomic scale. This study demonstrates that when two 2H-WS2 grains with crystallographic orientation differences exceeding 10° are brought into contact at 1000 °C, they coalesce and transform into a single, pure 1T-WS2 grain devoid of orientation mismatch. First-principles calculations reveal a thermodynamic crossover at 280 K: below this temperature, 2H-WS2 is the stable phase, whereas above 280 K, 1T-WS2 becomes energetically favored. Kinetic analysis of nucleation shows that homogeneous nucleation of the 1T phase requires overcoming an energy barrier of 2.314 eV, while heterogeneous nucleation at the contact interface of two nanosheets necessitates only 0.005 eV, a reduction of nearly three orders of magnitude. This dramatic barrier lowering is attributed to the synergistic effect of elevated temperature and lattice mismatch-induced interfacial restructuring, which promotes atomic rearrangement and the formation of 1T-WS2 at the contact boundary. The 1T phase region subsequently expands, consuming the surrounding 2H nanosheets and yielding large-area, phase-pure 1T-WS2 films. This work establishes a straightforward, clean synthesis route for 1T-TMDs and provides a mechanistic framework for interface-driven phase engineering in two-dimensional materials.