JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
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2026
·Vol. 47
·期 1
·118781
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IF 6.3
Leichao Cao,Yizhou Xiao,Yutang Liu,Chunchun Li,Guangzu Zhang,Fei Li
In this study, a compositional optimization strategy was formulated within the 85BaTiO 3 -15Na 0.5 Bi 0.5 TiO 3 (85BT-15NBT) system to attain X9R-type stability while maintaining a comparatively high dielectric response. Nb/Y co-doping was introduced to adjust the phase structure and dielectric behavior of the parent 85BT-15NBT. Rietveld refinement revealed a structural evolution from a tetragonal P 4 mm symmetry to pseudocubic Pm 3 ˉ m symmetry. X9R requirement, with a room-temperature permittivity of 1496 and a dielectric loss of 1.82%, was achieved. CaZrO 3 modification increased the relative permittivity to 1679 along with a dielectric loss of 1.50% without compromising the temperature stability. High-temperature impedance and Arrhenius analyses revealed improved high-temperature insulation and CZ-induced changes in the local defect and chemical environment. These findings illustrate that compositional optimization is effective for designing lead-free X9R dielectric ceramics for high-temperature MLCC applications.
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Molecular Catalysis
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2026
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IF 4.3
Shuo Wang,Jing Ding,Yichang Pan,Hui Wan,Guofeng Guan
Chitosan-supported pyridinium ionic-liquid catalysts were prepared. • Halide, DD, and ionic-liquid loading effects were systematically studied. • Br-IL2Cs-90DD gave 95% cyclic carbonate yield at 0.5 MPa CO 2 . • The catalyst retained high activity over five consecutive cycles. • DFT revealed cooperative activation by N⁺, Br⁻, and chitosan –OH sites. Developing recyclable heterogeneous organocatalysts with clearly identifiable cooperative active sites is important for the mild and solvent-free cycloaddition of CO2 with epoxides. Herein, a chitosan-supported pyridinium ionic-liquid catalyst was constructed by covalently immobilizing bifunctional ionic-liquid moieties onto renewable chitosan through Schiff-base chemistry. The catalyst integrates pyridinium cations, Br⁻ nucleophiles, Schiff-base linkages, and chitosan hydroxyl groups into a cooperative heterogeneous catalytic environment. Among the investigated structural variables, the bromide-containing catalyst prepared from high-deacetylation chitosan (Br-IL2Cs-90DD) showed the best performance, affording 96% epichlorohydrin conversion, 99% cyclic carbonate selectivity, and 95% cyclic carbonate yield at 80 °C and an initial CO 2 pressure of 0.5 MPa within 4 h under solvent-free conditions. This performance is competitive with representative heterogeneous ionic-liquid and biomass-supported catalysts operating under mild-pressure conditions. The recovered catalyst retained 94% conversion, 98% selectivity, and 93% yield after five consecutive cycles, and post-reaction FT-IR/XPS characterization further supported the structural retention of the immobilized ionic-liquid catalyst. Characterization and density functional theory calculations support the proposed cooperative catalytic mechanism, in which the pyridinium cation and Br⁻ promote epoxide activation and ring opening, while chitosan hydroxyl groups help stabilize alkoxide and carbonate-related species. This work provides a biomass-derived immobilized ionic-liquid catalyst for metal-free CO 2 -to-carbonate conversion and offers molecular-level insight into cooperative active-site design. Download: Download high-res image (271KB) Download: Download full-size image
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Communications Physics
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2026
·
IF 5.5
Guo Xiaojun,Xiao Yanzhen,Wang Sihan,Fu Zhengkun,Zhang Zhenglong
A strongly focused laser beam with high power density employed in optical tweezers typically results in photothermal damage and instability to the trapped nanoparticles or bio-targets. Here, we report an effective laser cooling of trapped Yb 3+ -Er 3+ co-doped rare-earth nanoparticle by employing a new cooling channel provided by Er 3+ and utilizing an enhancement of the anti-Stokes emission through energy transfer between Yb 3+ and Er 3+ . Especially in high temperature conditions, the co-doped system demonstrates a high laser cooling performance, that enable the temperature to decrease from 500 K to around room temperature. But for the initial temperature of around room temperature, the cooling temperature does not drop below freezing, which can avoid not only thermal but also cold damage to bio-targets in optical tweezers. This work provides experimental evidence of the Yb 3+ -Er 3+ co-doping rare-earth nanoparticle for laser cooling, which can hold a potential to address the challenge of precise measurements in optical tweezers.
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METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
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2026
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IF 3.3
Chen Buxin,Bai Chenguang,Hu Meilong,Chen Mao
Understanding the H 2 -rich reduction behavior and mechanism of the single-phase pseudobrookite (FeTiO 3 ) is essential for the green utilization of the strategic resource vanadium titanomagnetite. In this work, the reduction behavior of FeTiO 3 under CO–H 2 atmospheres was systematically investigated via non‑isothermal thermogravimetric experiments. The study focused on key parameters including the reduction degree, reduction rate, post‑reduction microstructure, and the particle size distribution of the resulting metallic iron and porosity. The results reveal that the promoting effect of H 2 -rich on macroscopic reduction behavior of FeTiO 3 originates from microstructural evolution, linking pore development and iron particle refinement.
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DIAMOND AND RELATED MATERIALS
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2026
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IF 5.2
Yuanhong Lin,Yao Jiang,Shuaipeng Chen,Xiyue Kang,Yuehui He
Surfactants are a key factor in the preparation of electroplated diamond wires. While their influence mechanism is generally believed to be dominated by charge electrophoresis in electrochemical co-deposition, our study reveals that the adsorption energy also acts as an important influencing mechanism in this process. In this study, four different types of cationic surfactants (CTAC, DMDAAC, PDDA, CHEC) are selected to represent cationic monomers, monomers containing carbon‑carbon double bonds, polymers, and chemically modified polymers, respectively. Co-deposition of nickel and diamond (D50 = 4.3 μm and 35.6 μm) onto the tungsten wire substrate was achieved under identical electrochemical parameters. The underlying mechanism was investigated by integrating experimental characterization and molecular dynamics simulations. The results indicate that different surfactants significantly influence the diamond embedding density, and this discrepancy varies with diamond particle size. For fine diamond particles (4.3 μm), the embedding effectiveness correlated positively with the particle electrophoretic mobility. For coarse diamond particles (35.6 μm), the embedding effectiveness was dominated by the surface adsorption energy. Cationic surfactants regulate the electrophoretic migration of particles through charge reversal and influence adsorption consolidation via the interactions between their molecular structure and diamond crystal surface, which synergistically determine the diamond embedding effectiveness.
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INTERNATIONAL JOURNAL OF PHARMACEUTICS
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2026
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IF 6
Yunxia Li,Shiyuan Liu,Di Xu,Yuxing Ding,Yanbin Jiang
Multimodal transfer learning improved co-amorphous prediction from limited data. • Graph, DFT and SMILES representations provided complementary predictive information. • Model-guided screening yielded four afatinib co-amorphous systems. • Co-amorphous systems showed greater dissolution and pH-dependent apparent solubility. Most active pharmaceutical ingredients (APIs) are poorly water-soluble, limiting their pharmaceutical performance. Co-amorphous (CA) systems offer a promising formulation strategy, yet CA prediction remains constrained by limited labeled data and insufficient molecular representation. Here, a multimodal transfer-learning framework was developed by transferring molecular graph representations from a larger co-crystal dataset and integrating graph, DFT and SMILES information for small-sample CA prediction. The model achieved an AUC-ROC of 0.924 and an MCC of 0.771. Compared with existing AI-assisted CA prediction approaches, this framework combines cross-domain knowledge transfer with complementary molecular representations to address the limited-data challenge. Using afatinib (AF) as a model API, four AF-based CA systems were prepared by ball milling. Solid-state characterization supported amorphous CA formation, and dimer-level quantum-chemical calculations supported the plausibility of favorable local AF-co-former interaction motifs. The CA systems showed pH-dependent apparent solubility advantages and greater dissolution extents than Crystal AF. Under dry storage conditions, the CA systems maintained their amorphous state and morphology. CCK-8 assays revealed differences in HCC827 cell viability inhibition among the tested samples. Overall, this study establishes an AI-assisted approach for CA co-former screening and experimental prioritization, providing a practical strategy for formulation development of poorly soluble drugs. Download: Download high-res image (247KB) Download: Download full-size image
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Nature Synthesis
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2026
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IF 22.6
Guan Siqi,Yu Tong,Tang Pei,Wu Huize,Wei Qian,Piao Nan,Li Lixiang,Zhu Jianqiu,Zhang Linjuan,An Baigang,Niu Yutao,Hu Guangjian,Sun Zhenhua,Wang Chunyang,Cheng Hui-Ming,Li Feng
Co-free Ni-rich layered oxide cathodes hold great promise for cost-effective, high-energy lithium-ion batteries, but their practical application remains limited by sluggish Li + kinetics and rapid capacity fading. Although doping has been widely used to mitigate these issues, conventional trial-and-error dopant selection remains inefficient for guiding rational materials development. Here we move beyond empirical dopant screening by developing a descriptor-informed multi-component dopant selection strategy based on dopant charge density and metal–oxygen bond strength. Low-charge-density dopants reduce electrostatic barriers to Li + migration, while high-bond-energy dopants reinforce the oxygen sublattice and stabilize the metal–oxygen framework. This doping strategy simultaneously accelerates Li + kinetics, suppresses cycling-induced phase transitions and mitigates chemomechanical fatigue, thereby delivering exceptional electrochemical performance in Co-free Ni-rich cathodes. The enhanced apparent Li + transport and structural stability enable an ultrahigh-rate capability of 130.9 mAh g −1 at 25 C and at 25 °C, excellent cycling retention of 82.4% after 350 cycles at 10 C and robust low-temperature operation delivering 112.2 mAh g −1 at 1 C under −20 °C. These findings, transitioning the design principle from empirical or trial-based selection to a targeted selection regime, present a promising route for developing high-performance cathode materials for lithium-ion batteries.
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APPLIED CATALYSIS B-ENVIRONMENTAL
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2026
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IF 19.7
Zhiguo Zheng,Chongyang Jiang,Yi Nie,Yuliang Li,Yanyi Li,Mengfei Shi,Jiaqi Feng,Min Wang,Kaihang Zhang,Zhenlei Zhang,Xiangping Zhang
Co doping tailors Ni redox chemistry and creates ultrathin nanosheet arrays. • PA-NiCoS@NF delivers 80.1% formate yield and 80.9% FE at 1.45 V vs. RHE. • Xylose oxidation requires 251 mV less potential than OER at 50 mA cm −2 . • In situ Raman identifies dynamically formed NiCoOOH as the reactive phase. Abundant xylose from agroforestry residues can be electrocatalytically oxidized to formate, offering a promising green biomass valorization strategy for carbon neutrality. Herein, a novel post-activated (PA) Ni-Co bimetallic sulfide-derived electrocatalyst supported on a nickel foam substrate for the xylose oxidation reaction (XOR), denoted as PA-NiCoS@NF, was fabricated via a facile one-step electrodeposition method. Co doping induces the formation of an ultrathin nanosheet array structure. Furthermore, it enables precise modulation of the electronic structure of the Ni centers, and the strong electronic interaction between Co and Ni bimetallic sites facilitates the oxidation of Ni 2+ to Ni 3+ . The PA-NiCoS@NF catalyst exhibits outstanding electrocatalytic performance for XOR, delivering a xylose conversion of 99.9%, a formate yield as high as 80.1% with a formate selectivity of 81.0%, a corresponding Faradaic efficiency of 80.9% at a low potential of 1.45 V vs. RHE. Additionally, the XOR delivers a current density of 50 mA·cm⁻² at only 1.39 V vs. RHE. Density functional theory calculations reveal that Co doping optimizes the adsorption behaviors of xylose and adsorbed hydroxyl species on the active sites. Furthermore, the PA-NiCoS@NF catalyst exhibits excellent cycling stability for XOR and increased anodic current responses in a preliminary LSV screening of five biomass-derived substrates. This work provides a novel and feasible strategy for the electronic structure modulation and nanostructure engineering of high-efficiency catalysts in the field of electroconversion of aldose biomass platform molecules. Download: Download high-res image (210KB) Download: Download full-size image
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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2026
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IF 9.2
Yujie Wang,Kai Cheng,Fengxiang Yu,Xueli Sun,Yuqian Wang,Jingran Xiao
FeOCl acts as a bifunctional co-catalyst on the Ti-Fe 2 O 3 photoanode for PEC water splitting. • FeOCl cocatalyst forms a type-II heterojunction with Ti-Fe 2 O 3 and boosts OER kinetics. • FeOCl can activate the lattice oxygen-mediated mechanism for accelerated OER. • AlOOH interlayer works synergistically with FeOCl to improve charge separation. • FeOCl/Al/Ti-Fe 2 O 3 photoanode achieves a photocurrent density 3.32 times that of bare Ti-Fe 2 O 3 . The photoelectrochemical water splitting performance of hematite photoanodes is limited by both poor charge separation and sluggish surface reaction kinetics. Herein, FeOCl is in situ deposited on Ti-doped Fe 2 O 3 (Ti-Fe 2 O 3 ) as an efficient co-catalyst with a bifunctional role. FeOCl forms a type-II heterojunction with Ti-Fe 2 O 3 that enhances bulk charge separation and accelerates charge transfer, potentially due to the activation of the lattice oxygen-mediated mechanism (LOM) to accelerate oxygen evolution reaction kinetics. Furthermore, an AlOOH interlayer introduced between FeOCl and Ti-Fe 2 O 3 reinforces the built-in electric field and works synergistically with FeOCl to further improve charge separation. The FeOCl/Al/Ti-Fe 2 O 3 photoanode delivers an optimized photocurrent density of 2.85 mA cm −2 at 1.23 V vs. RHE and 3.88 mA cm −2 at 1.50 V vs. RHE, outperforming both single-modifier photoanodes. This work demonstrates a dual-function design strategy that couples heterojunction formation with LOM activation, guiding the development of multi-component photoanodes. Download: Download high-res image (331KB) Download: Download full-size image
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ELECTROCHIMICA ACTA
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2026
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IF 5.8
Xu Han,Guoping Liu,Li Wu,Xiubo Min,Zhongsheng Wen
Due to the large ionic radius of Na⁺, sodium storage is often accompanied by sluggish ion transport and limited interfacial reaction kinetics, posing significant challenges for the development of high-performance sodium-ion battery electrode materials. To address these issues, a Co-modified WS 2 /rGO composite was constructed via a hydrothermal method combined with subsequent thermal treatment. The Co-WS 2 /rGO electrode delivers a reversible capacity of 283.5 mAh g -1 after 300 cycles at a current density of 2 A g -1 , along with favorable rate capability. Kinetic analyses reveal a higher surface-controlled contribution and lower charge-transfer resistance for Co-WS 2 /rGO compared with WS 2 /rGO. Operando electrochemical analyses further reveal reduced polarization and improved reaction reversibility during Na⁺ storage. These results demonstrate that Co modification combined with rGO incorporation is an effective strategy for improving the interfacial electrochemical kinetics and sodium-storage performance of WS 2 -based anodes. Download: Download high-res image (196KB) Download: Download full-size image
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Advanced Energy Materials
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2026
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IF 25.5
Hengfei Zhang,Ying Zhang,Yichen Zhang,Hui Ding,Dan Tan,Zhuoyang Lu,Xiangyang Liu,Zhiming Lin,Maogang He,Zhong Lin Wang
Simultaneously securing clean water and reliable electricity remains a formidable global challenge, particularly in infrastructure-deficient off-grid regions. However, existing co-supply strategies are hindered by decoupled operating mechanisms and limited energy density. Here, we present a Wirtz-pump-driven triboelectric nanogenerator (WP-TENG) that enables both water conveyance and electricity generation within a self-sustaining platform. Powered by ambient water flow, the Wirtz pump leverages the air-lock effect to lift fluid as segmented liquid columns, thereby inducing periodic liquid–solid triboelectrification along the pipe wall. Crucially, the electrical output is boosted due to the dynamic evolution of the interfacial electric double layers within the inner–outer electrode configuration. Through systematic parameter optimization and modular integration, the WP-TENG achieves a volumetric flow rate of 200 mL·min −1 and a hydraulic head of 0.82 m, while delivering peak outputs of 920 V and 940 µA, exceeding those of reported liquid–solid TENGs under comparable conditions. Moreover, the platform powers an electrochemical disinfection module, enabling sustained 5-log microbial inactivation within 10 min during prolonged operation. This work establishes a self-sustaining platform for decentralized water–electricity co-supply and offers a scalable route toward water–energy resilience in resource-constrained environments.
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Journal of Materials Research and Technology-JMR&T
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2026
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IF 7.3
Lei Wang,Han Zhang,Pengfei Xu,Zhihao Liu,Zekun Liu,Bo Wang,Fei Ding,Langping Wang,Yanji Yang,Yong Chen,Yupeng Xu,Dianlong Wang,Bo Wang
Internal stress control is critical for the electroforming of high-precision components such as X-ray focusing mirrors, which typically require stress levels below 0.1 MPa to maintain shape accuracy. Meanwhile, the complex nonlinear interactions among multiple deposition parameters make stress optimization challenging using traditional methods. We propose a machine learning-assisted framework to systematically investigate and optimize the low-stress (<0.1 MPa) electroforming of nickel and nickel-cobalt alloys from sulfamate baths. Among various machine learning algorithms, random forest is identified as the optimal predictive model. Based on this, a processing map correlating current density and cobalt concentration with low-stress conditions is established. SHAP analysis reveals that current density is the dominant factor, followed by cobalt concentration. Combined EBSD, XRD, and DFT calculations elucidate the underlying physical mechanisms. Current density induces grain refinement, while cobalt incorporation promotes solid solution formation, both of which lead to lattice expansion in the nickel structure and consequent tensile stress generation. Finally, finite element simulations guide the optimization of engineering solutions, leading to the successful fabrication of X-ray focusing mirrors with exceptional thickness uniformity (coefficient of variation <2%)
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