SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3848-7
Conventional heterogeneous photocatalysts often suffer from insufficient light absorption, rapid charge recombination, and a lack of specific reactive sites for efficient photocatalytic oxidation. To overcome these limitations, we propose a molecular polarization engineering approach utilizing structurally well-defined donor (D)-acceptor (A) covalent triazine frameworks (CTFs). The construction of dipole-induced built-in electric fields within the D-A-structured CTFs enables enhanced exciton dissociation and facilitates directional charge transfer. Specifically, the asymmetric A1-D-A2 moiety enhances molecular polarization in the dual-acceptor system CTF-TBT (A1-D-A2), enabling efficient charge separation through multiple electron-withdrawing units. This structural design promotes directional electron transfer toward the secondary acceptor (benzothiazole, A2), while simultaneously concentrating holes on the donor unit. Consequently, the A2 moiety acts as a site for efficient O2 activation via electron accumulation, whereas the highly oxidized donor unit provides strongly positive holes (h+) that facilitate substrate oxidation. Experimental and DFT calculation results confirm that CTF-TBT demonstrates highly enhanced photocatalytic oxidation performance, which can be attributed to its multi-channel charge separation mechanism and spatially separated redox-active sites. This study highlights the effectiveness of molecular dipole engineering in designing heterogeneous photocatalysts with controlled charge transfer pathways and improved redox capabilities. The proposed design principles provide a universal approach for promoting solar-driven chemical synthesis applications.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3682-6
Metal single-atoms with optimized coordination structure on highly accessible substrate can maximize the metal utilization efficiency along with enhancing catalytic activities. Herein, axial nitrogen-coordinated Fe-N5 sites on N-doped carbon (denoted as FeN5@N-C) hollow microplates are fabricated via a unique Fe3+-chelated polydopamine assisted hollowing strategy using ZIF-L microplates as multifunctional templates. Due to the powerful chelating and adhesive ability of polydopamine, this hollow-carbon strategy can be extended to fabricate single-atom Fe-N-C hollow structures with different shapes and encapsulate other transition-metal single atoms (Ni, Co, Mn, and Cu) into the N-doped carbon hollow microplates. The FeN5@N-C hollow microplates exhibit outstanding oxygen reduction reaction (ORR) capability with an impressive half-wave potential of 0.93 V vs. reversible hydrogen electrode and high stability, which can serve as air-cathode catalysts for high-performance Zn-air batteries with high peak power density of 225.3 mW cm−2 and stable cyclability of up to 400 h. Comprehensive analysis and theoretical calculations elucidate that axial nitrogen coordination in Fe-N5 catalytic sites, unlike the planar Fe-N4 configuration, can compete well with the bonding of OH* through additional 3d-2p orbital hybridization, thereby giving moderate bonding strength to enhance the ORR activity.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3871-9
The escalating demand for sustainable, high-performance materials has intensified research into replacing petroleum-based plastics with abundant biomass, particularly cellulose. However, cellulose's effective modification and functionalization are often hindered by complex processing requirements and limited performance tunability. Here, we report an innovative 'active' green medium strategy based on an ethyl cellulose/thymol eutectic system, enabling in situ chemical modification of eutectic components and the construction of dynamic self-adaptive networks without external catalysts or initiators. Through precise molecular design, dynamic boroxine networks and acrylate crosslinking networks are synergistically integrated into the cellulosic bioplastic (CBP) matrix. The resulting CBP-A2B8 exhibits exceptional optical transparency (~85%), superior mechanical properties (tensile strength ~30 MPa), facile thermal processability, and closed-loop recyclability. Its chemical structure and mechanical performance remain highly stable even after 20 hot-compression recycling cycles. Complete biodegradation occurs under natural environmental conditions within approximately 100 days. Furthermore, when combined with silver nanowires, the bioplastic forms high-performance flexible transparent conductive films successfully applied in customizable electroluminescent devices. Post-lifecycle, device components (silver nanowires and CBP matrix) are efficiently separated and recycled using a straightforward solvent-based method. This eutectic system-mediated strategy offers a novel pathway for the development of sustainable, high-performance bioplastics with a closed-loop lifecycle.
The Chinese Journal of Process Engineering•2026•DOI: 10.12034/j.issn.1009-606X.225225
The non-Newtonian rheological properties of plastic melts are critical for regulating plastic processing, molding, and recycling processes, ensuring processing stability and product performance. However, rheological data for commonly used plastics and their blends remain incomplete. This study combined experimental testing and theoretical modeling to investigate the rheological behaviors of four pure plastics—polypropylene (PP), polyethylene (PE), polystyrene (PS), and acrylonitrile-butadiene-styrene copolymer (ABS)—and three binary blend systems: PE/ABS, PP/ABS, and PS/ABS. Rheological tests were conducted using a rheometer over a shear rate range of 0.1–100 s⁻¹ and temperatures from 180°C to 250°C. Results showed that the flow behavior index n was less than 1 for all samples, and apparent viscosity decreased significantly with increasing shear rate, indicating clear shear-thinning behavior. The consistency coefficient K followed the Arrhenius relationship with temperature, and melt viscosity decreased as temperature increased. The study quantitatively characterized the relationship between the mass fraction m (0.5 < m ≤ 1) of the main component in binary blends and melt viscosity. Based on experimental data, a component correction term was introduced into the traditional power-law model to construct a constitutive equation that simultaneously describes the effects of shear rate, temperature, and component fraction on melt viscosity. The average relative error between model predictions and experimental values was only 5.90%. These rheological data and the modified constitutive equation provide important theoretical support and data reference for optimizing process parameters in waste plastic recycling and injection molding.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3808-x
The uncontrollable Zn dendrites and serious parasitic side reactions of the zinc anode severely impede the practical application of aqueous zinc-ion batteries. In this work, a unique strategy of multipoint solvate coordination center is proposed, which anchors Zn2+ and H2O with complex sites to establish an intermolecular connection within the asymmetric solvation structure. A hydrated deep eutectic electrolyte based on multi-site methylurea (MU) with Janus properties is developed, in which Zn2+ and H2O interact with MU through Lewis acid-base and hydrogen bonding interaction, and the regulated asymmetric solvation configuration can guide the (002)-ordered Zn deposition. Simultaneously, a small amount of polyethylene glycol (PEG, Mw=20000) can facilitate homogenous (002) Zn deposition by suppressing Zn2+ transfer kinetics. Benefiting from the rationally regulated solvation structure and PEG molecules adsorbed onto Zn anodes, the side reactions and Zn dendrites are significantly inhibited. As a result, the Zn||Zn symmetric cell delivers outstanding cycling performance over 3900 h (1 mA cm−2, 0.5 mA h cm−2). In addition, the Zn||V2O5 battery maintains 79.2% capacity retention after 1000 cycles at 1 A g−1. The results suggest a promising oriented regulation strategy for sustainable aqueous zinc-ion batteries.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3839-4
Broadband optoelectronic memristors with high computational efficiency and low power consumption are pivotal for neuromorphic computing at the edge. This work presents a Ag/WO3−x:N/ZnO:N/ITO memristor exhibiting dual-modal synaptic plasticity. Electronic synaptic properties emulate biological plasticity, while photoresponse to multiple wavelengths, including simultaneous dual-wavelength stimulation, yields composite photocurrents. Leveraging these characteristics, single- and dual-wavelength artificial vision arrays simulate human visual perception. An artificial neural network integrated with a Field Programmable Gate Array (FPGA) forms a floating-point arithmetic system for object detection. The edge computing system achieves a 103-fold reduction in power consumption, addressing computational power limitations and enabling floating-point operations in embedded neuromorphic deployments. This work advances broadband optoelectronic synapses for efficient, low-power edge computing.
Journal of Environmental Engineering Technology•2026•DOI: 10.13205/j.hjgc.202607001
Co-combustion of municipal solid waste (MSW) and sewage sludge (SS) offers a promising route for synergistic waste management, yet pollutant release dynamics and environmental trade-offs remain inadequately characterized. This study systematically investigated the combustion behavior, pollutant emissions, and environmental impacts of MSW-SS blends at 850, 950, and 1050 °C with varying SS mass fractions (0–100%). Machine learning models, particularly artificial neural networks (ANN), were optimized to predict pollutant generation, and SHAP analysis identified key influencing factors. Results demonstrated that combustion temperature and blending ratio significantly affected burnout efficiency, with temperature exerting a more pronounced effect. An SS proportion of 20% yielded favorable combustion performance. Among pollutants, N2O and C2H4 emissions were significantly influenced by temperature, blending ratio, and their interaction, indicating high sensitivity to operating conditions. CO and C6H6 were primarily affected by blending ratio, while C7H8 responded to both temperature and blending ratio. N2O and CH4 were predominantly released during the initial combustion stage; elevated temperatures markedly suppressed N2O formation, and co-combustion generally reduced CH4 emissions. A 20% SS blend effectively reduced SO2 emissions, and NO synergistic reduction was optimal at 950 °C. Emissions of CO, C2H4, C6H6, and C7H8 exhibited antagonistic behavior under co-combustion. The ANN model accurately predicted pollutant concentrations, with combustion temperature, volatile matter, and fixed carbon content identified as critical factors. Environmental impact assessment revealed that higher temperatures reduced global warming potential (GWP) and photochemical ozone creation potential (POCP), while lower MSW proportions decreased POCP but increased GWP and acidification potential (AP). Integrating combustion performance, pollutant release, and environmental impacts, an SS proportion of 20% is recommended for optimized co-combustion.
Journal of Environmental Engineering Technology•2026•DOI: 10.13205/j.hjgc.202607014
Reducing ammonia emissions and recovering lost nitrogen are critical for enhancing nitrogen content in compost. Biological trickling filters, as end-of-pipe odor control, retain ammonia nitrogen in effluent, offering a reuse pathway. However, the impact of nitrogen-rich wastewater reuse within the optimal C/N range (20.0:1–30.0:1) remains unclear. This study composted biogas residue, sawdust, food waste, and mushroom residue, setting initial C/N as the control variable. Four groups were established: low C/N with nitrogen-rich wastewater (LRN), low C/N with deionized water (LRW), high C/N with nitrogen-rich wastewater (HRN), and high C/N with deionized water (HRW). Simulated wastewater (2000 mg/L NH4+-N and 2000 mg/L NO2−-N) was recycled. Results showed no inhibition of final maturity; pH (8.17–8.48) and seed germination index (GI) (90.85%–122.96%) met organic fertilizer standards. HRN reduced cumulative total greenhouse gases, N2O, and NH3 by 20.32%–30.35%, 0.67%–53.38%, and 52.14%–62.15% compared to LRN and LRW. Although HRN emissions were slightly higher than HRW (total GHGs +4.56%, NH3 +4.99%), HRN final nitrogen content (4691.27 mg/kg) exceeded HRW (4514.96 mg/kg), attributed to sufficient carbon enhancing microbial assimilation. Conversely, low C/N with nitrogen-rich wastewater increased NH3 and N2O emissions (LRN vs LRW: +26.43% and +112.99%) due to carbon limitation. Thus, high initial C/N with nitrogen-rich wastewater reuse effectively reduces gaseous nitrogen loss and greenhouse gas emissions while maintaining compost maturity.
Journal of Fuel Chemistry and Technology•2026•DOI: 10.1016/S1872-5813(26)60655-X
Defect-induced nonradiative recombination critically restricts the power conversion efficiency (PCE) and stability of perovskite solar cells (PSCs). Lewis base additives show great promise in defect passivation, but current screening methods rely heavily on empirical trial and error and lack clear design principles, making it difficult to efficiently discover high-performance candidate materials. Here, we present a machine learning (ML) framework to intelligently screen Lewis base molecules for defect passivation. We trained six ensemble models on a dataset of 146 experimental data points, with Light Gradient Boosting Machine (LightGBM) yielding the best classification performance (87% accuracy). Shapley Additive Explanations (SHAP) interpretability analysis subsequently identifies the highest occupied molecular orbital (HOMO) energy (−7.5 to −6.3 eV), additive concentration (2.5 to 6.5 mg/mL), and simplified molecular backbones (O atom ≤ 2, C atom < 5) as critical design criteria. The ML prediction was experimentally validated: (S)-pyrrolidine-3-carboxylic acid ((S)-PCA) and 2-methyl-1,3-cyclopentanedione (MCPD) (Class Ⅱ) improved PCE by 2.22% and 2.01%, respectively, while 3-hydroxymethyl-3-methylbutanenitrile (3-HMBN) (Class Ⅰ) showed minimal gain. Density functional theory (DFT) calculations further confirmed the stronger binding affinities and elevated defect formation energies of Class Ⅱ additives. Notably, the champion (S)-PCA device achieved a PCE of 24.05%. This work established an ML-accelerated paradigm for the rational design of defect passivators, bridging data science and photovoltaics.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4216-7
Flexible Cu2ZnSn(S,Se)4 (CZTSSe) solar cells are promising for lightweight and mechanically pliable photovoltaics, yet their performance is limited by severe non-radiative recombination and residual stress. Here, we report a sealed constant temperature (SCT) annealing strategy that simultaneously optimizes the CZTSSe/CdS heterojunction and alleviates stress. Under uniform mild thermal conditions (85°C, 5 h), SCT annealing promotes gradient diffusion of Cd2+ into the absorber, partially substituting Zn2+, which optimizes band alignment, passivates interface defects, and suppresses near-interface CuZn defects. This reduces open-circuit voltage loss and improves fill factor. The flexible device achieves a power conversion efficiency of 13.07%, a significant improvement over the reference (12.1%). The SCT strategy also enhances mechanical flexibility by reducing residual stress. Our findings provide a controllable route to advance both efficiency and flexibility of flexible CZTSSe solar cells.
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/s40843-025-3568-4
Viral capsids exemplify icosahedral polyhedral architectures formed via spontaneous self-assembly of identical protein subunits through non-covalent interactions governed by symmetry-matching rules. Mimicking this biological strategy, hydrogen-bond-directed supramolecular polyhedra have emerged as a focal point in supramolecular chemistry, offering dynamic responsiveness, reversible assembly, and structural designability. However, these systems face persistent challenges in structural stability and geometric precision control, particularly under competitive solvent conditions and thermal stress. This review systematically categorizes hydrogen-bonded supramolecular polyhedra by structural type and building block characteristics, including calix[4]resorcinarene cavitands, resorcin[4]arenes, pyrogallol[4]arenes, and peptidic containers. Key experimental milestones are highlighted: encapsulation-induced stabilization of heterocapsules (Chem Eur J, 2013, 19: 3685–3692), guest rotation within self-assembled heterocapsules (Proc Natl Acad Sci USA, 2009, 106: 10444–10448), and mechanochemical encapsulation of fullerenes in peptidic containers via dynamic chiral self-sorting (Chem Eur J, 2016, 22: 3148–3152). These constructs demonstrate tunable capsule spaces through hydrogen-bonding linkers (J Org Chem, 2006, 71: 8800–8806) and hybrid hydrogen-bonded/metal-ligand coordination capsules with dual guest-exchange control (Chem – An Asian J, 2014, 9: 1076–1082). The review identifies critical scientific bottlenecks—including solvent-dependent disassembly, limited cavity size, and trade-offs between reversibility and mechanical robustness—and outlines future trends toward precision functionalization. Establishing a theoretical framework for controlled assembly, this work provides methodological guidance for advancing bioinspired hydrogen-bonded polyhedral structures in synthetic chemistry and materials science.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3611-3
Supramolecular materials exhibiting reversible circularly polarized luminescence (CPL) are of great interest for their potential applications in the development of 3D display technology and information encryption. In this work, we synthesize a pair of molecular cage enantiomers constructed from (2R)/(2S)-diaminocyclohexane-functionalized naphthalenediimide units ((4R/S)Cy-NDIDA) and fluorescent tris(4-formylphenyl)amine (TPA) components. The cage exhibits extremely weak fluorescence emission in both liquid and solid states. Notably, the introduction of tris(pentafluorophenyl)borane (TFPB) as a guest molecule gradually activates the photoluminescence (PL) and CPL signals of the chiral cage via host-guest interaction. Furthermore, photochromic diarylethene (DAE) is incorporated into the system. The reversible isomerization of DAE under light irradiation enables dynamic control of Förster resonance energy transfer (FRET) interactions with the host-guest complex, resulting in switchable fluorescence quenching and recovery. This precise strategy for controlling dynamic CPL switching of the chiral molecular cage offers a novel strategy for the development of supramolecular CPL systems.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-025-3493-x
Bacterial infections impose a substantial clinical burden, with antibiotic resistance diminishing the efficacy of conventional therapeutics. Photodynamic therapy (PDT) offers a noninvasive antibacterial modality, yet existing photosensitizers suffer from insufficient free radical generation and limited functionality. This study reports a π-conjugated viologen derivative, 3TPhDPyMeOTf, incorporating multiple thiophene units to extend visible-light absorption and multiple pyridine structures to promote radical formation. Experimental and theoretical analyses confirm broad-spectrum antibacterial activity in vitro and in vivo. At 0.5 μM, the photosensitizer achieves over 60% eradication of Escherichia coli, Staphylococcus aureus, and methicillin-resistant Staphylococcus aureus (MRSA). In an MRSA-infected wound model, it accelerates healing with 93% efficacy within 12 days, significantly exceeding controls. The compound also exhibits excellent bacterial membrane staining, enabling bacterial imaging. This molecular design addresses the dual bottlenecks of weak visible-light absorption and inefficient radical generation in viologen-based photosensitizers, providing a promising strategy for potent PDT agents.