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MATERIALS CHARACTERIZATION · 2021 · IF 4.342

Effect of Si element and YF3 addition on microstructure and phase transformation of NiTi alloy coatings

Wennan Su,Xiufang Cui,Guo Jin,Yajie Guan,Yao Zhao,Simin Wan,Changhao Liu,Yuyun Yang,Haoliang Tian

NiTi, NiTi-4Si, and NiTi-4Si-2YF 3 coatings were prepared on Ti-6Al-4V substrate by laser cladding to obtain composite multilayer protective coating for composite structure. The effects of Si and YF 3 addition on the microstructure, phase composition, microhardness , and phase transformation of the coatings were systematically analyzed. The coatings are mainly composed of NiTi, NiTi 2, and TiN phases. The addition of YF 3 results in the decrease of the dendrite TiN phase in the coating. TEM results show that the core-shell structure is observed in NiTi-4Si coating. The β -Ti phase was surrounded by the shell NiTi 2 phase. After the addition of YF 3 , the core-shell structure was found to disappear. With the addition of the Si element, the eutectic structure was found in the coatings. The eutectic structure is mainly composed of NiTi (B2) and Ti 2 Si phases. According to the SEAD result, there are crystallographic orientation relationships (ORs) between NiTi (B2) phase and Ti 2 Si phase as follows: 1 ¯ 11 B 2 / / 1 ¯ 23 Ti 2 Si . The average microhardness of the NiTi, NiTi-4Si and NiTi-4Si-2YF 3 coatings were at 468.33 HV 0.5 , 499.86 HV 0.5 , and 433.65 HV 0.5 , respectively. At the same time, the uniformity of the NiTi phase in NiTi-4Si-2YF 3 coatings is improved, which is conducive to a more complete phase transition.

CAS / MDL: 13709-49-4 7440-21-3
研究领域: 材料科学 · 表面工程
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International Journal of Applied Ceramic Technology · 2025 ·Vol. 22 ·期 6 ·e70052 · IF 2.3

Enhanced thermal conductivity and flexural strength of Si3N4 ceramics by using YF3-MgSiN2 as sintering additives

Na Zhang,Min Niu,Lei Su,De Lu,Kang Peng,Hongjie Wang

Si 3 N 4 ceramics stand out as ideal materials for advanced electronic packaging substrates due to their high mechanical strength, high-temperature resilience, and minimal dielectric constant. Optimizing both the mechanical and thermal conductivity is essential for ensuring their reliable performance. In this study, a systematic investigation into the impact of both oxygen-containing sintering additives (Y 2 O 3 -MgF 2 and Y 2 O 3 -MgSiN 2 ) and oxygen-free sintering additives (YF 3 -MgF 2 and YF 3 -MgSiN 2 ) on the microstructure, flexural strength, and thermal conductivity of Si 3 N 4 ceramics has been performed. It demonstrates that the Si 3 N 4 ceramic sintered with the YF 3 -MgSiN 2 additive achieves a remarkable thermal conductivity of 111.63 W·m −1 ·K −1 and a flexural strength of 774.7 MPa, which is relatively rare among the reported Si 3 N 4 ceramics. These exceptional properties are attributed to the use of YF 3 -MgSiN 2 additive, which leads to a significant reduction in lattice oxygen content, along with a decrease in the liquid phase formation temperature, thereby promoting grain development. Furthermore, the decomposition of MgSiN 2 at high temperatures plays a key role in purifying the grain boundaries. This study provides a promising approach for developing high-performance Si 3 N 4 ceramics with excellent thermal conductivity and mechanical strength.

CAS / MDL: 13709-49-4
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Catalysis Science & Technology · 2021 ·Vol. 11 ·期 20 ·6750-6754 · IF 6.119

YF3: a nanoflower-like catalyst for efficient nitrogen fixation to ammonia under ambient conditions

Tingshuai Li,Qiru Chen,Jin Yu,Jiaojiao Xia,Yuanfang Li,Ke Xu,Yonglan Luo,Qian Liu,Haoran Guo

Ammonia as a vital chemical is not only indispensable to agriculture but also crucial to some energy devices like fuel cells. However, conventional ammonia production remains energy-intensive and environmentally hostile, and thus electrochemical synthesis of ammonia under mild conditions receives increasing attention. Herein, we report nanoflower-like yttrium fluoride (YF3) as a high-efficiency electrocatalyst for the nitrogen reduction reaction (NRR) for the synthesis of ammonia. Such a catalyst exhibits an ammonia yield rate of 15.5 μg h−1 mgcat−1 and a faradaic efficiency (FE) of 26.2% in 0.1 M Na2SO4, and also shows excellent selectivity and stability. Density functional theory (DFT) calculations indicate that electrons transfer from the NN bond to N–Y and N–H bonds, and the activation of N2 molecules promotes the adsorption of H atoms.

研究领域: 材料科学 · 化学工程 · 理论计算
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CERAMICS INTERNATIONAL · 2025 ·Vol. 51 ·期 24 ·42178-42185 · IF 5.6

Synergistic improvement of thermal conductivity and flexural strength of AlN ceramics with Si3N4–C additives

Hai Jiang,Qi-Feng Cai,Xiao-Hong Wang,Wen-Zhong Lu

Si 3 N 4 whiskers and nanocarbon powder were added to AlN–Y 2 O 3 –YF 3 ceramics, and the microstructure, thermal conductivity and flexural strength of the samples were studied. Instead of working as one-dimensional reinforcement in AlN ceramics, the Si 3 N 4 whiskers formed a β-Sialon phase that significantly strengthened the grain boundaries, thereby increasing the flexural strength of AlN sample. The added carbon powder formed a transition layer at the grain boundaries and further strengthened them. The fracture mode of the samples changed from intergranular to transgranular, and their flexural strength was increased. Moreover, carbon powder reduced the concentration of aluminum vacancy and improved the thermal conductivity of the samples. Therefore, the flexural strength and thermal conductivity of AlN ceramics with carbon powder and Si 3 N 4 whisker additives were synergistically increased to 366.4 ± 16.4 MPa and 203.5 ± 3.16 W m −1  K −1 , respectively.

CAS / MDL: 13709-49-4
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CORROSION SCIENCE · 2026 · IF 10.3

Grain boundary engineering for enhanced corrosion resistance of Si3N4 in molten MgCl2-NaCl-KCl salts

Yueqi Wu,Mingyong Jia,Qiang Shen,Fei Chen

Silicon nitride (Si 3 N 4 ) ceramics are promising structural materials for next-generation concentrated solar power (CSP) systems, while their long-term stability in aggressive molten chloride salts remains insufficiently understood. Here, we investigate the corrosion behavior and decomposition mechanism of a conventional Y 2 O 3 -sintered β-Si 3 N 4 ceramic in molten MgCl 2 –NaCl–KCl at 600 °C. The corrosion process proceeds through three sequential stages: preferential dissolution of the amorphous intergranular phase (IGP), formation of a detrimental Mg 2 SiO 4 layer, and subsequent chemical attack of β-Si 3 N 4 grains. Guided by this mechanistic understanding, we propose a grain boundary engineering strategy using YF 3 /MgF 2 sintering aids to fabricate corrosion-resistant Si 3 N 4 ceramics. The engineered ceramic exhibited a 25% reduction in average corrosion depth and excellent property retention after 800 h of exposure. Its bending strength loss is only 8.3%, compared with 13.8% for the reference material, and its thermal conductivity loss is 4.8%, compared with 8.4% for the reference material. The improved corrosion resistance is attributed to the combined effects of a chemically stable crystalline Y 4 Si 2 N 2 O 7 intergranular phase, elimination of residual SiO 2 impurities, and a coarsened microstructure. Salt purification experiments further confirmed the proposed corrosion mechanism by suppressing impurity-driven decomposition. In purified molten salt, the engineered ceramic shows an extrapolated corrosion rate of approximately 16.8 μm·year - ¹ , meeting the U.S. DOE corrosion target of < 20.0 μm·year - ¹ . These results demonstrate that grain boundary engineering is an effective strategy for improving the durability of Si 3 N 4 ceramics in high-temperature molten chloride salt environments.

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CERAMICS INTERNATIONAL · 2026 · IF 6

Influence of heat treatment on the lattice oxygen migration behavior, thermal and mechanical properties of AlN ceramics

Chang-quan Li,Kuan-kuan Li,Xiao-feng Zeng,Xi Long,Peng-zhao Gao,Xin-lin Ren,Jian-li Wang,Hui-ying Tang,Hang Qin,Han-ning Xiao

This study systematically investigates the effect of heat-treatment temperature (600-1200 °C) in air on the oxidation behavior, lattice oxygen migration, and thermal and mechanical properties of AlN ceramics. The results show that when the heat-treatment temperature is ≤ 800 °C, no detectable oxide layer forms on the surface of AlN ceramics; however, lattice oxygen begins to diffuse toward grain boundaries. At 1000 °C, a continuous and dense Al 2 O 3 layer (∼2.55 μm) forms on the surface. The thermal expansion mismatch between this oxide layer and the AlN matrix induces a residual compressive stress (-749.78 MPa) in the AlN substrate. Concurrently, XPS, EDS line scanning, and hot-gas extraction collectively confirm that lattice oxygen has sufficiently migrated to grain boundary regions. The resulting lattice purification reduces phonon scattering centers, while the residual compressive stress lowers interfacial thermal resistance at grain boundaries and suppresses crack propagation. These two mechanisms act synergistically, leading to the highest flexural strength (451.48 MPa) and thermal conductivity (211.73 W·m -1 ·K -1 ) among all samples. When the temperature is further increased to 1200 °C, the oxide layer thickens sharply to approximately 30.95 μm. Cracks and pores develop due to the thermal expansion mismatch, causing a marked decrease in both thermal conductivity and flexural strength. Finally, a kinetic equation for predicting the oxide layer thickness on AlN ceramics is established based on the Hou-Chou kinetic model. A comprehensive model describing lattice oxygen migration and oxidation behavior during heat treatment is also constructed. This work provides a theoretical basis for optimizing the heat-treatment process and enhancing the performance of AlN ceramics.

CAS / MDL: 13709-49-4
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ACS Applied Materials & Interfaces · 2026 ·Vol. 18 ·期 30 ·41290-41310 · IF 7.8

Ultrabright Upconversion in Thermally Crystallized BaYF5:Yb,Er Glass-Ceramics via Dopant Enrichment for Reconfigurable Optical Data Encoding and Logic Operations

Weng Tianfeng,Lamon Simone,Gan Zongsong,Gu Min,Zhang Qiming

All-optical data encoding provides a route to ultrafast, low-energy photonic memory and computation, yet its implementation is hindered by weak nonlinearities and low emission efficiencies in conventional materials. Upconversion luminescence offers strong nonlinear behavior, but typical hosts suffer from inefficient energy transfer, dilute and randomly distributed dopants, and complex excitation demands. Here, we report thermally crystallized BaYF 5 :Yb,Er glass-ceramics that overcome low upconversion efficiency and dopant inhomogeneity through controlled Er 3+ enrichment within BaYF 5 nanocrystals. Thermal crystallization reduces interionic distances, promoting cooperative Yb 3+ –Er 3+ sensitization and Er 3+ –Er 3+ energy migration. The combination of theoretical modeling and experiments shows efficient population of high-energy emitting states, yielding ultrabright upconversion emission with enhancement factors of 113-, 118-, and 110-fold for the blue, green, and red channels under 980 nm excitation. Optimized nanocrystals also prolong emission lifetimes, suppress nonradiative relaxation, and produce clear saturation behavior. Leveraging strongly nonlinear responses, power- and pulse-width-modulated excitation enables precise control of both spectral and temporal outputs, forming a highly reconfigurable platform. This allows multidimensional data encoding and implementation of fundamental optical logic gates with high fidelity and self-referenced decoding. The system offers robust, secure, and scalable functionality for advanced all-optical information processing applications.

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ADVANCED MATERIALS · 2025 · IF 26.8

Unlocking Fast Lithium Ion Migration in Zirconium-Based Fluoride Solid Electrolytes

Chao Li,Wenshuo Zhang,Xiaomeng Shi,Zhichao Zeng,Yaping Du

Fluoride solid-state electrolytes (SSEs) have attracted significant interest due to the extremely high oxidation limits, excellent air stability, and favorable compatibility with metallic lithium, while the structure-property relationship remains unknown. Although crystalline Li 2 ZrF 6 (LZF) synthesized at high temperatures exhibits extremely low ionic conductivity, the ionic conductivity of its quasicrystalline counterpart synthesized via lithium-rich strategies can be enhanced by at least an order of magnitude. The enhanced ionic conductivity is attributed to effective modulation of 0-, 1-, and 2D defects in the structure, which manifests as an optimized carrier-vacancy concentration equilibrium, structural rearrangement of framework units, and adjustment of dislocation and grain boundary configurations. Driven by these mechanisms, the sample with x = 0.5 exhibits the highest ionic conductivity and lowest activation energy. To elucidate this trend, combining simple theoretical models and experiments demonstrates the guiding role of the carrier-vacancy theory, unit cell distortion theory, and defect theory in advancing ion transport of fluoride SSEs. In addition, the zirconium-based fluoride exhibits superior oxidation stability and excellent compatibility with lithium metal, enabling the all-solid-state lithium batteries (ASSLBs) fabricated with it as a cathode additive to achieve a capacity retention rate of 66.83% after 1000 cycles.

研究领域: 材料科学 · 固态离子学 · 电化学 · 能源材料 · 无机非金属材料 · 电池技术 · 固体化学 · 纳米结构材料
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NEW JOURNAL OF CHEMISTRY · 2026 · IF 2.5

K 7 MgY 2 (B 5 O 10 ) 3 : A novel ultraviolet nonlinear optical crystal based on the [B 5 O 10 ] functional unit

Haozhen Liu,Shiyu Du,Paipai Zhang,Jiawei Zhao,Yanna Chen,Donghai An

A high-performance ultraviolet (UV) nonlinear optical (NLO) material requires three essential characteristics: a short UV absorption edge, a strong secondharmonic generation (SHG) response, and favorable NLO coefficients. In this study, a novel rare-earth borate compound with the formula K 7 MgY 2 (B 5 O 10 ) 3 was successfully synthesized using a high-temperature solution method combined with chemical cosubstitution. The crystal adopts a non-centrosymmetric (NCS) structure (space group R32) and exhibits an SHG intensity 1.3 times that of potassium dihydrogen phosphate (KDP) under 1064 nm laser irradiation. Its UV cutoff edge is determined to be 290 nm, demonstrating exceptional potential for UV optical applications. Combined experimental and theoretical analyses reveal that the synergistic interplay between polarizable [B 5 O 10 ] groups and heterovalent K + /Mg 2+ /Y 3+ substitution underpins its superior NLO performance.

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Small · 2026 · IF 11.8

High-Voltage All-Solid-State Lithium Metal Batteries Mediated by the YF3 Strengthened Polycaprolactone Electrolytes

Ying Hu,Ziyi He,Qijie Yu,Yixiao Deng,Hao Yan,Tinglu song,Chunli Li,Jian Gu,Jin-Cheng Zheng,Yang Dai

Integrating lithium‑rich/nickel-rich high‑voltage cathodes with polycaprolactone‑based all‑solid‑state polymer electrolytes markedly boosts the safety and specific energy of all-solid‑state batteries. However, interfacial incompatibility at high voltages poses a significant challenge for polycaprolactone (PCL)-based all-solid-state polymer electrolytes (SPEs), therefore limiting their pairing in high-voltage cathodes. Herein, YF 3 -improved PCL SPEs are designed for 4.5 V-, and 4.8 V-class all-solid-state lithium metal batteries (ASSLMBs). In modified SPEs, PCL carbonyl groups donate electron density to YF 3 , weakening Li + -polymer coordination and thus promoting ionic conductivity, while YF 3 with Lewis-acid properties simultaneously improves anti-oxidation capability. The optimized membrane delivers 5.1 V oxidative stability, high thermal robustness, and forms stable cathodic and anodic interphases. Remarkably, Ni-rich (NCM9055) cells with the optimized electrolyte achieve 500 cycles at 4.5 V with 69.8% capacity retention, while Li-rich cells sustain 200 cycles at 4.8 V – performance that was previously difficult to achieve. This YF 3 /PCL design validates a practical route and offers a unique dual-interface stabilization strategy for high-voltage ASSLMBs.

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Materials · 2026 ·Vol. 19 ·期 9 ·1685 · IF 3.7

Data-Driven Prediction and Inverse Design of Fluoride Glasses via Explainable GA-BP Neural Networks

Runze Zhou,Xinqiang Yuan,Longfei Zhang,Chi Zhang,Hongxing Dong,Long Zhang

Highlights Data-driven framework for fluoride-glass prediction and inverse design. The genetic-algorithm–optimized backpropagation neural network jointly predicts refractive index and density. Bayesian hyperparameter tuning enhances accuracy and robustness. Constraint-aware inverse design ranks feasible compositions by targets & similarity. SHapley Additive exPlanations analysis is employed to quantify feature importance and enhance the interpretability of the model. With the increasing application of novel glass materials in the field of optics, traditional empirical and trial-and-error approaches to glass development are gradually becoming insufficient to meet escalating performance demands. In this study, we propose a neural network-based machine learning method for the design of advanced fluoride glass materials. Predictive models for density and refractive index were first developed based on online fluoride glass datasets. Moreover, SHapley Additive exPlanations (SHAP) analysis was adopted to uncover the quantitative composition-property relationship. Then, the well-trained model was employed for inverse design, identifying specific compositions that fulfill desired properties in terms of density and refractive index. Finally, several recommended compositions were experimentally validated and the measured density and refractive index matched well with the corresponding input values, thereby confirming the effectiveness of the proposed method in designing new fluoride glass materials.

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CERAMICS INTERNATIONAL · 2025 · IF 5.6

Impact of carbon material (carbon powder/graphene) on thermal and electrical properties of AlN ceramics

Qifeng Cai,Depeng Kong,Dexiang Li,Wen Lei,Peng Du,Laihui Luo,Zhengyu Zou,Hai Jiang

The influence of adding carbon powder/graphene on the microstructure, thermal and electrical properties of AlN ceramic were studied. Carbon powder/graphene was beneficial for removing oxygen impurities in AlN samples and purifying grain boundaries. Thermal conductivities of samples with added carbon powder or graphene increased to 194.6 W/(m·K) and 235.9 W/(m·K), respectively. Graphene phase residues appeared in the samples with added graphene, that owned higher thermal conductivity. Meanwhile some electronic defects were introduced, reducing the resistivity of the sample and altering the defect mechanism. Impedance spectroscopy and dielectric temperature spectroscopy revealed the changes in the defect mechanism in the sample. And the AlN sample with 0.25 wt% graphene added had higher electrical conductivity, dielectric constant and dielectric loss than the AlN sample with 0.25 wt% carbon powder added. Therefore, appropriately adding carbon material could enhance the thermal conductivity of AlN ceramics. When added graphene, thermal conductivity was significantly enhanced and the electrical properties were also synergistically regulated.

CAS / MDL: 13709-49-4
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