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SSRN 2025年

作者： Liu, Shuifu Song, Kunjie Li, Shuxing Xie, Rong-Jun Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials College of Materials Xiamen University Xiamen361005 China

high-efficiency narrow-band green phosphor is essential for advancing backlight displays towards a wide-color-gamut, but it is hardly rationally discovered by the traditional methods. Herein, we establish a machine learning (ML) model to predict the emission wavelength and full width at half maximum (FWHM) of Eu2+-doped UCr4C4-structured silicate phosphors. Using this ML model, a narrow-band green phosphor CsRbKNa(Li3SiO4)4:Eu2+ (CRKNLSO:Eu2+) emitting at 530 nm with an FWHM of 44 nm was discovered. The internal and external quantum efficiencies of the CRKNLSO:Eu2+ phosphor are 82.8% and 52.9%, respectively. Moreover, CRKNLSO:Eu2+ can maintain stable emission intensity (97.0%@425 K) and color output at high temperature. White light-emitting diodes (LED) encapsulated by CRKNLSO:Eu2+, K2SiF6:Mn4+, and a blue LED chip demonstrated a high luminous efficiency of 116.9 lm/W and a wide-color-gamut of 116.0% NTSC (National Television System Committee standard). This work paves an avenue to precisely design narrow-band green phosphors by using the ML method, and supplies a promising CRKNLSO:Eu2+ phosphor for wide-color-gamut displays. © 2025, The Authors. All rights reserved.

关键词： Silicates

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Microstructure and Mechanical Properties of high Strength–Ductility Cu-Zn-Al-Fe β-Brass Alloys

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Journal of materials engineering and performance 2025年 1-8页

作者： Mei, Jiahe Zhuang, Zhe Chen, Xiaoqiang Chen, Yaofeng Guo, Lipeng Wang, Cuiping Yang, Shuiyuan College of Materials of Xiamen University Xiamen361005 China Shenzhen Research Institute of Xiamen University Shenzhen518055 China Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials Xiamen Key Laboratory of High Performance Metals and Materials Xiamen University Xiamen361005 China

In this study, Cu-Zn-Al-Fe β-brass alloys were prepared through homogenization annealing and hot-rolling annealing. The effects of Zn and Al contents on the microstructure and mechanical properties of β-brass alloys were assessed. The results show that Cu-Zn-Al-Fe β-brass alloys comprise β(CuZn) matrix phases and β1(FeAl) phases with three orders of magnitude: micron, submicron, and nano. By employing appropriate Zn and Al contents, excellent microstructures featuring diffusive nano-β1(FeAl) can be achieved. However, excessive amounts of Zn and Al promote the formation of a brittle γ(Cu5Zn8) phase, which seriously affects the properties of the alloy. After compositional optimization, two alloys exhibit excellent overall mechanical properties. The ultimate tensile strength, yield strength, and elongation were 673.9 MPa, 410.3 MPa, 17.9% for Cu-30Zn-6.5Al-2.5Fe alloy, and 611.1 MPa, 350.2 MPa, and 25.0% for Cu-28Zn-6.5Al-2.5Fe alloy, respectively. The excellent overall mechanical properties can be attributed to a combination of factors, including the synergistic precipitation strengthening of β1(FeAl) at the micron scale (Orowan mechanism) and the nanometer scale (shear mechanism), solid solution strengthening induced by the addition of Zn and Al, and dislocation strengthening provided by the formation of a large number of dislocations after rolling. This study provides an essential reference for preparing high-performance brass alloys and helps to broaden the application of β-brass in industry. © ASM International 2025.

关键词： Tensile strength

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Enhanced broadband near-infrared luminescence via phase engineering of Cr3+-doped crystals

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Progress in Natural Science: materials International 2025年

作者： Liu, Shuaiyu Cui, Xiaoya Su, Ke Pan, Xin Wang, Yujia Yao, Lan Li, Qiaoling Mei, Lefu 100083 China Department of Materials Science and Engineering Southern University of Science and Technology Shenzhen518055 China State Key Laboratory of Physical Chemistry of Solid Surfaces Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials and College of Materials Xiamen University Xiamen China

As near-infrared spectroscopy technology is increasingly applied in fields such as biomedicine, food detection, and night vision, the demand for efficient near-infrared light sources is growing rapidly. However, traditional light sources, such as tungsten-halogen lamps and supercontinuum lasers, are hindered by low energy efficiency and bulky designs, limiting their suitability for advanced optical applications. Fluoride-based materials have attracted attention due to their low phonon energy and excellent optical transparency, making them promising candidates for next-generation light sources. Herein, cryolite-structured fluorides were synthesized to investigate their potential as efficient near-infrared emitters. Micron-sized Na3Sc1-xF6: xCr3+ and KyNa3-yScF6: 6 %Cr3+ crystals were prepared via a hydrothermal method. The influence of Cr3+ doping concentration and K+ substitution on crystal structure and luminescent performance were systematically explored. Cr3+ doping was found to induce lattice contraction and stabilize an octahedral crystal field, resulting in broadband near-infrared emission. Additionally, K+ substitution induces a phase transition, further enhancing luminescence and significantly extending fluorescence lifetimes. This work reveals the coupled effects of dopant concentration and structural modification in optimizing luminescent behavior. These findings provide valuable insights and theoretical guidance for the rational design and development of efficient near-infrared LED light sources, addressing essential challenges in advanced optical techniques. © 2025 Chinese materials Research Society

关键词： Near infrared spectroscopy

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Coupling Effect of Ni and Ta on the Antiphase Boundary Energy in Γ’ Phase of Coni-Based Superalloys

SSRN

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SSRN 2025年

作者： Chen, Youheng Han, Jiajia Yang, Chen Pan, Shaobin Wang, Cuiping Liu, Xingjun College of Materials China Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials School of Materials Science Xiamen University Fujian Xiamen361005 China Xiamen Key Laboratory of High Performance Metals and Materials School of Materials Science Xiamen University Fujian Xiamen361005 China Department of Materials Science and Engineering Harbin Institute of Technology Guangdong Shenzhen518055 China

Anti-phase boundary (APB) significantly affects the yield strength and creep behavior of CoNi-based superalloys. Given the conflicting evidence regarding the effect of Ni on the APB energy (APBE) of the γ’ phase, we have conducted a comprehensive investigation using a combination of density functional theory, cluster expansion, and Monte Carlo simulation techniques. Our analysis of equilibrated configurations reveals that Ni plays a crucial role in preventing the formation of anti-site defects, thus enhancing the stability of the γ’ phase. Additionally, we identified short-range order phenomena within the γ’ phase, which further contribute to phase stability. Regarding the APBE, both Ni and Ta increase the APBE within a reasonable composition range. Moreover, the simultaneous addition of Ni and Ta further increases the APBE, demonstrating a synergistic effect. However, increasing the Ni concentration in certain CoNi-based superalloys leads to a reduction in Ta content, which in turn lowers the APBE. Our findings provide a clear understanding of the roles of Ni and Ta in determining the APBE and offer a foundation for manipulating the shear mechanism in γ’ phases. © 2025, The Authors. All rights reserved.

关键词： Density functional theory

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Amorphous interface-controlled discharge product formation: A pathway to high-performance lithium-oxygen batteries

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Nano Energy 2025年 141卷

作者： Xia, Yongji Fan, Sicheng Jin, Xuefeng Wang, Le Lin, Sheng Yan, Jian Han, Jiajia Yu, Zhaoju Peng, Dong-Liang Yue, Guanghui State Key Lab of Physical Chemistry of Solid Surface Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials College of Materials Xiamen University Xiamen361005 China Ministry of Education Xiamen361005 China College of Materials Xiamen Key Laboratory of Electronic Ceramic Materials and Devices Xiamen University Xiamen361005 China

Lithium-oxygen batteries (LOBs) can afford high-energy density storage, yet their commercialization is hindered by sluggish redox kinetics. To address this issue, we successfully constructed a self-supporting crystalline NiCo2O4 (NCO)/amorphous NixP (NP) heterostructure (c/a) catalyst using a two-step electrodeposition strategy. This innovative design introduces a disordered amorphous structure, providing abundant active sites and accelerating ion diffusion. Density functional theory (DFT) calculations demonstrate that the c/a heterostructure remarkably reduces the work function and adjusts the Fermi level, thereby weakening the adsorption energy of LiO2. This modulation allows LiO2 to diffuse into the electrolyte, facilitating the growth of pie-like Li2O2 through a solution mechanism. In-situ electrochemical impedance spectroscopy (EIS) and distribution of relaxation times (DRT) experimental data confirm that the discharge products formed under this mechanism exhibit excellent formation and decomposition efficiencies. As a result, the NCO/NP cathode demonstrates an ultra-long cycling performance (719 cycles) and an ultra-low charge-discharge overpotential (0.5 V). Our findings provide a novel strategy for designing high-performance cathodes by manipulating the formation mechanism of Li2O2, highlighting the potential of c/a heterostructures in advancing the efficiency and stability of LOBs. © 2025 Elsevier Ltd

关键词： Redox reactions

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Controllable morphology and enhanced luminescence in hydrothermally Cr3+-Doped Na3GaF6 phosphors for NIR imaging

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Ceramics International 2025年

作者： Xiao, Yiren Pan, Xin Su, Ke Wu, Zhaojie Wang, Yujia Zhang, Guangqing Jian, Yuanhao Mei, Lefu Liao, Libing Engineering Research Center of Ministry of Education for Geological Carbon Storage and Low Carbon Utilization of Resources Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral Materials School of Materials Science and Technology China University of Geosciences Beijing100083 China Department of Materials Science and Engineering Southern University of Science and Technology Shenzhen518055 China College of Materials and Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials Xiamen University Xiamen361005 China School of Science China University of Geosciences Beijing100083 China

Cr-doped fluorides are promising for near-infrared (NIR) imaging due to their broad emission spectra and tunable luminescence within low-phonon-energy matrices. However, achieving precise control over particle morphology to enhance luminescence remains challenging. This study employs hydrothermal synthesis to optimize the morphology and NIR emission of Cr3+-doped Na3GaF6 phosphors by varying synthesis parameters like temperature and surfactant type. Optimized conditions produced larger, uniform polyhedral particles that exhibited enhanced NIR emission (650–900 nm), peaking at 756 nm under 431 nm excitation. When used in a NIR phosphor-converted LED (NIR-pc-LED), the phosphors achieved a radiation flux of 28.88 mW at 320 mA and a photoelectric conversion efficiency of 2.73%, showcasing their potential for NIR imaging applications such as biological imaging and night vision technologies. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Infrared imaging

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Size effect of graphite anode with boosted capacitive solvated-Na + co-intercalation for high-power sodium-ion capacitors

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Chinese Chemical Letters 2025年

作者： Xiaojuan Huang Zerui Yan Xiaoqing Chang Dafu Tang Qiulong Wei Department of Materials Science and Engineering Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials College of Materials Xiamen University Xiamen 361005 China

Solvated-ion co-intercalation mechanism with high-rate capability properties makes graphite anode reconsider as optional anode for sodium-ion batteries and capacitors. The size effect has been widely investigated for various transition metal oxide materials, but such influences on the co-intercalation mechanism remain largely unexplored. In this study, natural graphite anodes with different particle sizes ranging from 25 μm to 1.7 μm for [Na(diglyme) x ] + co-interaction are systematically investigated through detailed kinetics analysis and in-situ X-ray diffraction characterization. Importantly, we find that the reaction pathways of the co-intercalation and co-extraction are quite different. The reduced graphite size results in the loss of phase transitions during the co-extraction process and then the disappearance of the sharp anodic redox peak. The small-sized graphite anodes display boosted capacitor-like responses and provide additional surface adsorption with a slightly increased capacity. Finally, a hybrid sodium-ion capacitor (SIC), using graphite anode and activated carbon cathode, is assembled without complex presodiation treatments. Such optimized hybrid SICs deliver high energy densities of 60 Wh/kg at 240 W/kg and high power density of ∼16,000 W/kg with 32 Wh/kg, and ultralong 30,000 stable cycles. This work provides fundamental insights into the Na + -solvent co-intercalation mechanism with tunable capacitor-like kinetics, representing a promising direction for high-power sodium-ion storage.

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Mechanism of high efficiency self-rotating grinding with low surface and subsurface damage in different oriented single-crystal diamond

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Journal of materials Processing Technology 2025年 340卷

作者： Xin, Yongkang Lu, Jing Wu, Yueqin Xu, Xipeng Institute of Manufacturing Engineering Huaqiao University Xiamen361021 China National & Local Joint Engineering Research Center for Intelligent Manufacturing Technology of Brittle Materials Products Xiamen361021 China State Key Laboratory of High-performance Tools Fujian Xiamen361021 China

Single-crystal diamond (SCD) machining faces significant challenges due to its extreme hardness and anisotropic cleavage behavior. Understanding different oriented SCD material removal behavior is crucial for achieving high-quality and efficient processing. This study presents an efficient self-rotating mechanical grinding method for processing (100), (110) and (111) SCD planes. By tailoring processing parameters to the crystallographic traits, material removal rate exceeding 54.86 μm/h are achieved for different crystal planes. Under the optimized parameters, the surface roughness (Sa) for the (100) plane is below 0.6 nm, with no subsurface damage observed. Through multiscale characterization (TEM/SEM/XPS/Raman) and molecular dynamics (MD) simulations, we reveal that subsurface damage across all planes originates from (111) cleavage, yet manifests differently: (100) planes cleavage along directions, (110) planes cleavage along both and orthogonal / directions, and (111) planes exhibit horizontal peeling combined with 60°-tilted cleavages. This study clarifies the deformation and damage mechanisms of diamond crystals during ultraprecision machining, which is crucial for achieving efficient and high-precision manufacturing of diamond components. © 2025 Elsevier B.V.

关键词： Grinding (machining)

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Recent progress on surface chemistryⅡ:Property and characterization

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Chinese Chemical Letters 2025年第1期36卷 8-57页

作者： Xin Li Zhen Xu Donglei Bu Jinming Cai Huamei Chen Qi Chen Ting Chen Fang Cheng Lifeng Chi Wenjie Dong Zhenchao Dong Shixuan Du Qitang Fan Xing Fan Qiang Fu Song Gao Jing Guo Weijun Guo Yang He Shimin Hou Ying Jiang Huihui Kong Baojun Li Dengyuan Li Jie Li Qing Li Ruoning Li Shuying Li Yuxuan Lin Mengxi Liu Peinian Liu Yanyan Liu Jingtao Lü Chuanxu Ma Haoyang Pan JinLiang Pan Minghu Pan Xiaohui Qiu Ziyong Shen Qiang Sun Shijing Tan Bing Wang Dong Wang Li Wang Lili Wang Tao Wang Xiang Wang Xingyue Wang Xueyan Wang Yansong Wang Yu Wang Kai Wu Wei Xu Na Xue Linghao Yan Fan Yang Zhiyong Yang Chi Zhang Xue Zhang Yang Zhang Yao Zhang Xiong Zhou Junfa Zhu Yajie Zhang Feixue Gao Yongfeng Wang Center for Carbon-based Electronics and Key Laboratory for the Physics and Chemistry of Nanodevices School of ElectronicsPeking UniversityBeijing 100871China Spin-X Institute School of MicroelectronicsSouth China University of TechnologyGuangzhou 511442China School of Materials and Energy Guangzhou Key Laboratory of Low-Dimensional Materials and Energy Storage DevicesGuangdong University of TechnologyGuangzhou 510006China Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming 650093China i-Lab CAS Key Laboratory of Nanophotonic Materials and DevicesSuzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China CAS Key Laboratory of Molecular Nanostructure and Nanotechnology CAS Research/Education Center for Excellence in Molecular SciencesBeijing National Laboratory for Molecular Sciences(BNLMS)Institute of ChemistryChinese Academy of SciencesBeijing 100190China State Key Laboratory for Organic Electronics and Information Displays&Jiangsu Key Laboratory for Biosensors Institute of Advanced MaterialsJiangsu National Synergetic Innovation Center for Advanced MaterialsNanjing University of Posts and TelecommunicationsNanjing 210023China Institute of Functional Nano and Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials and DevicesSoochow UniversitySuzhou 215123China Hefei National Research Center for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Institute of Physics&University of Chinese Academy of Sciences Beijing 100190China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China College of Chemistry Beijing Normal UniversityBeijing 100875China Beijing National Laboratory for Molecular Sciences(BNLMS) College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China School

surface with well-defined components and structures possesses unique electronic,magnetic,optical and chemical *** a result,surface chemistry research plays a crucial role in various fields such as catalysis,energy,materials,quantum,and *** science mainly investigates the correspondence between surface property and *** probe microscopy(SPM)techniques are important tools to characterize surface properties because of the capability of atomic-scale imaging,spectroscopy and manipulation at the single-atom *** this review,we summarize recent advances in surface electronic,magnetic and optical properties characterized mainly by SPM-based *** focus on elucidating theπ-magnetism in graphene-based nanostructures,construction of spin qubits on surfaces,topology properties of surface organic structures,STM-based light emission,tip-enhanced Raman spectroscopy and integration of machine learning in SPM studies.

关键词： surface chemistry Scanning probe microscopy π-Magnetism Spin qubits Tip-enhanced Raman spectroscopy

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Hybrid pseudocapacitance/co-intercalation mechanisms of TiO_(2)/graphite anodes for rapid sodium-ion storage

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Rare Metals 2024年第10期43卷 5427-5434页

作者： Ze-Rui Yan Da-Fu Tang Bin-Hao Wang Xiao-Juan Huang Xia Zou Si-Cheng Fan Yan Wu Tong Shu Qiu-Long Wei Department of Materials Science and Engineering College of MaterialsFujian Key Laboratory of Surface and Interface Engineering for High Performance MaterialsXiamen UniversityXiamen 361005China

Developing anode materials with high specific/volumetric capacities,high-rate capability,long-term cycles and low cost is significant for advanced sodium-ion ***,we report the hybrid TiO_(2)/graphite(TiO_(2)/G)anodes for fast(dis)charging sodium-ion *** advantage of the rapid pseudocapacitive surface-redox on anatase TiO_(2)nanoparticles(NPs)and fast[Na(diglyme)_(x)]^(+)co-intercalation into graphite,the hybrid anodes display excellent rate ***,the TiO_(2)NPs are able to fill into the interspaces among graphite flakes and the graphite provides continuous electron pathways,which largely boosts the volumetric capacities and rate performance.

关键词： boost intercalation capacitance

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