SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4292-4
The vast compositional space of high-entropy materials presents a fundamental challenge for catalyst discovery. Considering 21 candidate elements at a 1% atomic resolution, this combinatorial explosion exceeds 10 billion (>10^10) possibilities, rendering direct experimental exploration impractical. Furthermore, purely data-driven approaches often struggle to comprehend the intrinsic chemical roles of discrete elemental identities, yet they excel at mapping continuous concentration gradients. Recognizing this distinction, we transform this combinatorial explosion into a targeted optimization problem by decoupling elemental selection from compositional ratio refinement. Ultrafast carbon thermal shock (CTS) is first employed to screen viable elemental combinations and establish an optimal quinary framework. Machine learning (ML) is subsequently applied to optimize compositional ratios within this reduced space, where statistical modeling efficiently navigates the remaining high-dimensional landscape. Targeting the oxygen evolution reaction (OER) as a proof-of-concept, our hybrid framework pruned the search space from over 10^10 possible compositions down into 13 systems, ultimately identifying high-entropy oxide (HEO)-Fe17.57Co28.45Ni31.27Mo10.57Zr12.14 as the optimal catalyst. The optimized high-entropy oxide exhibits an overpotential of 240 mV at 10 mA cm−2 and sustains stable operation at 1 A cm−2 for over 600 h in 1 M KOH. Mechanistic analysis reveals that Mo electronically tunes oxygen-intermediate adsorption, while Zr enhances structural robustness, collectively enabling high activity and durability. This work demonstrates that bridging discrete physical screening with continuous data-driven optimization provides an efficient and generalizable pathway for navigating high-dimensional material frontiers.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3588-2
The rapid evolution of aerospace technology necessitates the development of multi-functional composites that combine light weight, mechanical robustness, thermal protection/insulation, and electromagnetic interference (EMI) shielding. C/SiC porous ceramic composites are promising for thermal protection in hypersonic vehicles. Here, we report a facile strategy to fabricate Cf/SiC composite polymer-derived ceramics (PDCs) via re-pyrolysis of high-energy ball-milled polycarbosilane-vinyltriethoxysilane-graphene oxide (PVG) with Cf/SiC(rGO)p blend interleaves. In-situ generated honeycomb-like cellular structures and non-directional channels reduce density and increase porosity. High-quality SiO2 joints, formed from Si-dangling bonds, strengthen interfacial bonding via a brazing effect, while in-situ SiOC nanowires (SiOCnws) create a hierarchically enhanced network, improving fracture toughness and crack resistance. Multi-scale interfacial/dipole polarization enhances EMI shielding. The optimized Cf(0.2)/SiC(rGO) composite exhibits low density (1.49 g cm−3), high fracture toughness (6.32 MPa m1/2), hardness (7.18 GPa), compressive strength (72.67 MPa), and EMI shielding effectiveness of 58.31 dB. It maintains structural stability under butane blowtorch ablation at ~1300 °C for 3600 s. Porous variants show thermal conductivity of 0.211 W m−1 K−1 with 69.74% porosity. These multi-functional composites are promising for thermal protection systems in aerospace applications.
Journal of Environmental Engineering Technology•2026•DOI: 10.13205/j.hjgc.202608001
The discharging wastewater from spent lithium-ion batteries is characterized by complex composition, high salinity, and substantial organic load, making its efficient treatment and resource recovery a critical challenge in the lithium battery recycling chain. This study investigated the feasibility of applying anaerobic chain elongation technology for resource recovery from such wastewater. The results showed that the reactor could tolerate up to 40% discharge wastewater in the feed, with caproate production reaching 6.38 g/L. However, when the wastewater proportion increased to 60%, system performance declined sharply, and the synthesis of butyrate and caproate ceased. Batch screening experiments ruled out the influence of high salinity (TDS ≈ 12 g/L) and metal ions such as Li+, Ni2+, Co2+, and Mn2+, identifying fluoride (F-) as the dominant inhibitory factor leading to functional failure. Concentration gradient experiments further quantified the inhibitory effect of F-. At concentrations below 600 mg/L, butyrate production remained largely unaffected; at 900 mg/L, substrate metabolism was severely inhibited, with only slight recovery observed at the final stage; and at 1200 mg/L, chain elongation metabolism was completely blocked. Microbial community analysis revealed that the chain elongation function was undertaken by different taxonomic groups at different stages. Initially, Clostridium kluyveri dominated, followed by a shift to Caproicibacterium and Thermocaproicibacter during the mid-phase. In the recovery phase, a synergistic consortium of Oscillibacter valericigenes and Caproicibacterium sp. emerged. Furthermore, after introducing actual discharging wastewater, microbial groups such as Brevundimonas diminuta and Clostridium ljungdahlii, which are likely involved in degrading complex organics, gradually became enriched, providing the substrate foundation for chain elongation. This study offers a feasible strategy and mechanistic insights for the high-value bioconversion of wastewater from lithium battery recycling.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-4060-5
Organic solar cells (OSCs) offer unique advantages for wearable electronics due to their light weight and mechanical flexibility. However, achieving both high optoelectronic performance and mechanical robustness in organic semiconductors remains challenging, compromising the efficiency and durability of stretchable OSCs. Here, we report a cross-linked conjugated polyelectrolyte (CPE)-polyoxometalate (POM) anode interlayer (AIL), PTN-POM, constructed via strong electrostatic interactions between ammonium groups and POM. The PTN-POM film exhibits an electrical conductivity of 3.30×10−3 S/m and high stretchability, significantly outperforming the classic PEDOT:PSS AIL in mechanical strength. Binary OSCs modified with PTN-POM achieve a power conversion efficiency (PCE) of 19.59%, the highest reported for OSCs using a cross-linked AIL. Notably, PTN-POM enables fabrication of water-proof OSCs that show no performance degradation after underwater storage for 42 days. Furthermore, stretchable OSCs incorporating PTN-POM demonstrate enhanced mechanical robustness, retaining 81% of initial PCE under a large tensile strain of 50%. This work significantly enhances the photovoltaic, waterproof, and mechanical properties of OSCs, advancing their potential for wearable photovoltaics.
SCIENCE CHINA Materials•2025•DOI: 10.1007/s40843-024-3283-y
Structure modulation at multiscale is critical for optimizing electromagnetic wave absorption (EWA) in fiber-reinforced composites. This study employs two SiC fibers with distinct resistivities: L-fiber (~3 Ω·cm) and H-fiber (~7×10^5 Ω·cm). To tailor impedance, BN single coating and SiO2/BN dual-coating were applied to L-fibers. Unidirectional prepregs were stacked in various sequences to fabricate composites. Results demonstrate that both fiber coatings and stacking architecture significantly affect EWA performance. Computational optimization guided the design, yielding stacked composites with reflection loss (RL) below −10 dB across the entire X-band (8.2–12.4 GHz) and Ku-band (12.4–18.0 GHz). Notably, surface coatings on L-fibers substantially widen the thickness range over which stacked composites maintain excellent performance. Dual-coating outperforms single coating in broadening this available thickness range. These findings provide a robust strategy for engineering high-performance EWA composites through multiscale structural control.