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A molecular dynamics simulation route towards Eu-doped multi-component transparent spectral conversion glass-ceramics

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Journal of Rare Earths 2025年第1期43卷 146-152,I0006页

作者： Xiuxia Xu Chenhao Wang Di Wang Wenyan Zheng Zhiyu Liu Jincheng Du Xusheng Qiao Xianping Fan Zhiyu Wang Guodong Qian State Key Laboratory of Silicon Materials School of Materials Science and EngineeringZhejiang UniversityHangzhou310027China State Key Laboratory of Silicon Materials MOE Key Laboratory of Macromolecular Synthesis and FunctionalizationDepartment of Polymer Science and EngineeringZhejiang UniversityHangzhou310027China Department of Materials Science and Engineering University of North TexasDentonTX76203-5017USA

Eu^(2+)doped fluorosilicate glass-ceramics containing BaF_(2) nanocrystals have high potential as spectral conversion materials for organic solar ***,it is difficult to realize the efficient design of BaF_(2):Eu^(2+)doped fluorosilicate glass and to vividly observe the glass microstructure in experiment through traditional trial-and-error glass preparation ***_(2):Eu^(2+)doped fluorosilicate glassceramics with high transparency,and high photoluminescence(PL)performance were predicted,designed and prepared via molecular dynamics(MD)simulation *** MD simulation prediction,self-organized nanocrystallization was realized to inhibit the abnormal growth of nanocrystals due to[AlO_(4)]tetrahedra formed in the fluoride-oxide *** introduction of NaF reduces the effective phonon energy of the glass because Na+will prompt Al^(3+)to migrate from the fluoride phase to the silicate phase and *** local environment of Eu^(2+)is optimized by predicting the doping concentration of EuF_(3) and 2 mol%EuF3 is the best concentration in this ***-ceramics sample GC2Eu as spectral conversion layer was successfully applied on organic solar cells to obtain more available visible phonons with a high photoelectric conversion efficiency(PCE).This work confirms the guidance of molecular dynamics simulation methods for fluorosilicate glasses design.

关键词： Molecular dynamics simulation Fluorosilicateglass Spectral conversion Organic solarcell Rareearths

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Rapid and high-resolution 3D printing via photoacid generator induced cationic RAFT polymerization

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science China Chemistry 2025年第05期68卷 2010-2016页

作者： Bowen Zhao Jiajia Li Chongyang Yang Xiangqiang Pan Zhengbiao Zhang Jian Zhu State Local Joint Engineering Laboratory for Novel Functional Polymeric Materials Jiangsu Key Laboratory of Advanced Functional Polymer Design and ApplicationSuzhou Key Laboratory of Macromolecular Design and Precision SynthesisDepartment of Polymer Science and EngineeringCollege of ChemistryChemical Engineering and Materials ScienceSoochow University

Vinyl ethers, while being typical monomers for living cationic polymerization, have limited commercial use due to the poor mechanical properties of their polymers at room temperature. We explored the use of photoacid generators to induce cationic reversible addition-fragmentation chain transfer（RAFT） polymerization for the rapid high-resolution three-dimensional（3D） printing of various vinyl ethers. The process demonstrated controlled molecular weights and narrow molecular weight distributions（MWD）, with monomer conversions exceeding 90% in minutes. Incorporating a crosslinker enabled 3D printing at speeds up to 8.46 cm h-1with layer thicknesses as thin as 50 μm. The mechanical properties of the printed objects were tunable by adjusting resin components, allowing for a range of material characteristics from brittle to elastomeric（tensile strength ranging from 13.9 to 31.7 MPa, Young's modulus ranging from 185.6 to 992.7 MPa and elongation at break ranging from 2.8%to 68.3%）. Moreover, polymer welding facilitated the creation of gradient materials, showcasing the potential for engineered applications of poly（vinyl ethers）(PVEs).

关键词： 3D printing cationic RAFT polymerization vat photopolymerization vinyl ether

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Polyethyleneimine modified Au core Rh shell nanodendrites for light-promoted nitrite reduction reaction at low concentration

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Journal of Energy Chemistry 2025年第4期103卷 400-407页

作者： Zhe Wang Xiaohui Wang Mengzhu Yun Xinyao Shi Xue Xiao Yan Liu Fan Yang Yucheng Jiang Yu Chen Key Laboratory of Macromolecular Science of Shaanxi Province School of Chemistry and Chemical EngineeringShaanxi Normal UniversityXi’an 710062ShaanxiChina School of Materials Science and Engineering Shaanxi Normal UniversityXi’an 710062ShaanxiChina Department of Public Security Northwest University of Political Science and LawXi’an 710122ShaanxiChina College of Chemistry and Materials Science Weinan Normal UniversityWeinan 714099ShaanxiChina

Ammonia(NH_(3))is a fundamental chemical in agriculture and an ideal hydrogen ***,NH_(3)synthesis strategies with high efficiency,energy conservation,environmental friendliness,and sustainability are desired *** nitrite(NO_(2)~-)reduction reaction(NO_(2-)RR)to NH_(3)offers a feasibly low-energy consumption and continuable approach to replace industrial NH_(3)***,polyethyleneimine(PEI)modified Au core Rh shell nanodendrites(Au@Rh-NDs)nanohybrid(Au@Rh-NDs/PEI)with branched structure is synthesized,which achieves the high NH_(3)yield(1.68 mg h^(-1)mg_(cat)^(-1))and Faradaic efficiency(FE)of 95.86%for NO_(2)~--RR at-0.39 V potential in neutral ***,the introduction of PEI significantly enhances the electroactivity of Au@Rh-NDs at low concentration of 1 mM NaNO_(2),which originates from the enrichment function of PEI for NO_(2)~-*** addition,the Au basement permits the sustainable solar power to expedite the NO_(2)~--RR at Au@Rh-NDs/PEI owing to the localized surface plasmon resonance(LSPR)of the Au core *** work may provide an admissible tactic to build excellent catalysts on account of organic molecule-mediated interfacial engineering in a variety of fields of catalysis and electrocatalysis.

关键词： Ammonia Shell-core structure Interfacial engineering Nitrite reduction reaction Photothermal and photoelectric effect

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Texture development and surface reconstruction of BiVO_(4)photoanode via one-pot hydrothermal reaction for enhanced photoelectrochemical water splitting

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Journal of Advanced Ceramics 2025年第3期14卷 133-141页

作者： Sung Won Hwang Yoo Jae Jeong Runfa Tan Indhujasri Saravanan Hyun Soo Han Dong Hoe Kim In Sun Cho Department of Energy Systems Research Ajou UniversitySuwon 16499Republic of Korea Department of Material Science&Engineering Ajou UniversitySuwon 16499Republic of Korea Department of Mechanical Engineering Stanford UniversityStanford 94305USA Department of Material Science&Engineering Korea UniversitySeoul 02841Republic of Korea Materials Science and Engineering Program University of Colorado BoulderBoulder 80303USA

The simultaneous optimization of the bulk and surface characteristics of photoelectrodes is essential to maximize their photoelectrochemical(PEC)*** report a novel one-pot hydrothermal synthesis of textured and surface-reconstructed BiVO_(4)photoanodes(ts-BVO),achieving significant improvements in PEC water *** controlling precursor molarity and ethylene glycol(EG)addition,we developed a stepwise dual reaction(SDR)mechanism,which enables simultaneous bulk texture development and surface *** optimized CoBi/ts-BVO photoanode exhibited a photocurrent density of 4.3 mA∙cm^(−2)at 1.23 V *** hydrogen electrode(RHE)with a high Faradaic efficiency of 98%under one sun *** with nontextured BiVO_(4),the charge transport efficiency increased from 8%to 70%,whereas the surface charge transfer efficiency improved from 9%to 85%.These results underscore the critical role of both bulk and surface engineering in enhancing PEC *** findings offer a streamlined approach for improving the intrinsic properties of photoanodes in solar water splitting.

关键词： BiVO_(4) hydrothermal texture surface reconstruction ethylene glycol(EG) photoelectrochemical water splitting

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Corona-shaped two-dimensional polyaramid derivatives for poly(ethylene oxide)-based all-solid-state lithium batteries

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Polymer Chemistry 2025年第20期16卷 2421-2427页

作者： Zheng, Feifan Jiang, Liping Gong, Xiaoli Yin, Zhengqiao Wang, Fei Zeng, Yuwen State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular Science Fudan University Shanghai200438 China Department of Materials Science Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Fudan University Shanghai200433 China

Solid polymer electrolytes (SPEs), especially those based on poly(ethylene oxide) (PEO), have garnered significant attention in the field of all-solid-state lithium batteries due to their high processability and low cost, advantages that are typically hard to achieve with their inorganic counterparts. However, their poor ionic conductivities have retarded their further application in all-solid-state lithium batteries. Herein, we report a series of corona-shaped two-dimensional polyaramid (2DPA) derivatives that improve the overall performance of PEO-based SPEs, including ionic conductivity, ion transference number, and electrochemical stability. We demonstrate that the unique corona topology, consisting of a rigid two-dimensional polyaramid core and flexible poly(ethylene glycol) (PEG) chains grafted at its periphery, effectively inhibits the crystallization of the PEO matrix through chain entanglement, thus enhancing ionic conductivity. Furthermore, the 2D polyaramid core provides enriched Lewis acidic binding sites for counter anions, suppressing the anion motion and resulting in selective lithium-ion transport. Therefore, a blend of 30% 2DPA-PEGs and PEO exhibits an enhanced room temperature ionic conductivity up to 4.39 × 10−5 S cm−1 (an order of magnitude higher than that of the original SPE), an elevated lithium-ion transference number of 0.78, and a high oxidation voltage of 4.7 V (vs. Li/Li+). Meanwhile, the assembled all-solid-state batteries exhibit improved cycling performance and higher stability. Such a heterostructural polymer design strategy showcases the promising potential of novel 2D polymer derivatives for ion transport optimization in SPEs. © 2025 The Royal Society of Chemistry.

关键词： Binding sites

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New block copolymers to form nanofibers with superior mechanical properties and to conjugate signaling molecules directing tissue regeneration

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materials Today 2025年 86卷 210-227页

作者： Zhou, Tongqing Cavalcante, Rafael C. Ma, Peter X. Macromolecular Science and Engineering Center University of Michigan Ann ArborMI48109 United States Department of Biologic and Materials Sciences University of Michigan Ann ArborMI48109 United States Department of Biomedical Engineering University of Michigan Ann ArborMI48109 United States Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States

Tissue engineering is a multidisciplinary field grown rapidly over the past few decades, whose success most often requires bioactive scaffolds to structurally support and biologically direct cell fate and tissue regeneration. Poly(L-lactic acid) (PLLA) is a widely used tissue engineering material with high strength, biocompatibility, biodegradability, and the capability of nanofiber formation through thermally induced phase separation (TIPS). To enable biomolecule conjugation, a new PLLA-based block copolymer, poly(spiro-lactic-co-lactic acid)-block-poly(L-lactic acid) or PSLA-b-PLLA, was developed in this study. The new polymer PSLA-b-PLLA could also form nanofibers through TIPS, and excitingly greatly improved the mechanical properties over PLLA nanofibers, with up to 1.2 times tensile modulus, 12.1 times strain at break, 2.1 times ultimate strength and 35.1 times toughness of PLLA, while being able to conjugate bioactive molecules covalently using click reactions. Its degradation rate was also accelerated to facilitate tissue regeneration. The tissue engineering potential of the new polymer scaffold was evaluated using a mouse critical-sized bone regeneration model, showing 3.6 times more vascularized bone volume regeneration when covalently conjugated with a bone-morphogenetic-protein-2-derived peptide. The block copolymer satisfies multiple criteria for tissue engineering with tunable mechanical properties, degradation rate, and conjugation densities. It can be utilized to impart specific biomolecular signals and mechanical properties potentially for various other tissue engineering applications. © 2025

关键词： Bone

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Self-assembled Fe_(3)O_(4)nanoparticles on V2C MXene for enhanced supercapacitor and microwave absorption applications

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Journal of Advanced Ceramics 2025年第3期14卷 183-196页

作者： Qixun Xia Ranlu Miao Wen Guo Min Xia Libo Wang Qianku Hu Aiguo Zhou School of Materials Science and Engineering Henan Polytechnic UniversityJiaozuo 454003China Henan Province Expressway Efficient Energy Storage Technology and Application Engineering Research Center Zhengzhou 450121China Department of Macromolecular Science Fudan UniversityShanghai 200438China Henan Radio Requlation Information System Backup Center Zhengzhou 450008China

Rapid advancements in modern electronic devices necessitate the development of materials that can simultaneously provide efficient energy storage and effective microwave ***,a novel composite material was prepared via the self-assembly of Fe_(3)O_(4)nanoparticles on the surface of V2C *** composite exhibited characteristics suitable for supercapacitor and electromagnetic absorption applications,highlighting the synergistic relationship between energy storage and electromagnetic wave absorption *** electrochemical tests revealed that the specific capacity of the V_(2)C MXene/Fe_(3)O_(4)composite(42.67 mAh·g^(−1))considerably improved compared with those of the raw *** prepared V2C MXene/Fe_(3)O_(4)//V_(2)C MXene/Fe_(3)O_(4)symmetric supercapacitor(SSC)demonstrated an energy density of 44.8 Wh·L^(−1),a power density of 959.4 W·L−1,and a capacity retention of 80.14%after 8000 ***,the V2C MXene/Fe_(3)O_(4)composite exhibited an optimal reflection loss(RL)of−42.4 dB in the Ku band,with an effective absorption bandwidth of 1.9 GHz(14.6–16.5 GHz).This composite material has broad application potential in modern electronic devices owing to its high energy storage capacity and effective electromagnetic wave *** dual functionality improves device performance and offers a compact solution for energy storage and effective microwave absorption.

关键词： MXenes Fe_(3)O_(4) two-dimensional(2D)materials supercapacitors microwave absorption

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Spherical Magnetic Fe-Alginate Microgels Fabricated by Droplet-Microfluidics Combining with an External Crosslinking Approach and the Study of Their pH Dependent Fe^(3+) Release Behaviors

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Chinese Journal of Polymer science 2025年第2期43卷 289-302页

作者： Jie Chen Run-Yu Yu ai-Qi Wang Zhe-Yu Zhang Arezoo Ardekani Yuan-Du Hu Department of Materials Science and Engineering School of Physics Science and EngineeringBeijing Jiaotong UniversityBeijing100044China Guangdong Provincial Key Laboratory of Technique and Equipment for Macromolecular Advanced Manufacturing South China University of TechnologyGuangzhou510641China State Key Laboratory of Molecular Engineering of Polymers Fudan UniversityShanghai200438China Department of Mathematics School of Mechanical EngineeringPurdue University585 Purdue MallWest LafayetteIN47907-2088USA

Due to the rapid development and potential applications of iron(Ⅲ)-alginate(Fe-Alg)microgels in biomedical as well as environmental engineering,this study explores the preparation and characterization of spherical Fe-Alg microgels using droplet microfluidics combined with an external ionic crosslinking *** study focused on the role of Fe^(3+)and examined its effects on the physical/chemical properties of microgels under different ionic conditions and reduced or oxidized *** pH-dependent release behavior of Fe^(3+)from these microgels demonstrates their potential biomedical and environmental ***,the microgels can exhibit magnetism simply by utilizing in situ oxidation,which can be further used for targeted drug delivery and magnetic separation technologies.

关键词： Fe-alginate microgels Droplet microfluidics In situ oxidation Magnetism

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Kinetic investigation of the energy storage process in graphene fiber supercapacitors:Unraveling mechanisms,fabrications,property manipulation,and wearable applications

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Carbon Energy 2025年第1期7卷 133-173页

作者： Juan Zhang Wenwen Liu Minzhi Du Qingli Xu Minren Hung Ruifang Xiang Meng Liao Xinhou Wang Bingjie Wang Aiping Yu Kun Zhang Key Laboratory of Textile Science and Technology(Donghua University) Ministry of EducationCollege of TextilesDonghua UniversityShanghaiChina Department of Chemical Engineering Waterloo Institute for NanotechnologyUniversity of WaterlooWaterlooONCanada Laboratory of Advanced Materials State Key Laboratory of Molecular Engineering of PolymersDepartment of Macromolecular ScienceFudan University2205 Songhu RdShanghai 200438China College of Mechanical Engineering Donghua UniversityShanghai 201620China

Graphene fiber supercapacitors(GFSCs)have garnered significant attention due to their exceptional features,including high power density,rapid charge/discharge rates,prolonged cycling durability,and versatile weaving ***,inherent challenges in graphene fibers(GFs),particularly the restricted ion-accessible specific surface area(SSA)and sluggish ion transport kinetics,hinder the achievement of optimal capacitance and rate *** existing reviews on GFSCs,a notable gap exists in thoroughly exploring the kinetics governing the energy storage process in *** review aims to address this gap by thoroughly analyzing the energy storage mechanism,fabrication methodologies,property manipulation,and wearable applications of *** theoretical analysis of the energy storage process,specific parameters in advanced GF fabrication methodologies are carefully summarized,which can be used to modulate nano/micro-structures,thereby enhancing energy storage *** particular,enhanced ion storage is realized by creating more ion-accessible SSA and introducing extra-capacitive components,while accelerated ion transport is achieved by shortening the transport channel length and improving the accessibility of electrolyte *** on the established structure-property relationship,several critical strategies for constructing optimal surface and structure profiles of GF electrodes are *** on the exceptional flexibility and wearability of GFSCs,the review further underscores their potential as foundational elements for constructing multifunctional e-textiles using conventional textile *** conclusion,this review provides insights into current challenges and suggests potential research directions for GFSCs.

关键词： fiber-shaped supercapacitor graphene ion storage ion transport wearable application

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Low-cost chemical surface smoothing of CO2 laser-etched acrylic using WELD ON 4 acrylic solvent cement

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International Journal of Advanced Manufacturing Technology 2025年第5期138卷 2245-2255页

作者： Moncada, Luis H. Safaripour, Samira Hutter, Tanya Walker Department of Mechanical Engineering The University of Texas at Austin AustinTX78712 United States Materials Science and Engineering Program and Texas Materials Institute The University of Texas at Austin AustinTX78712 United States

With the increasing use of micro-manufactured devices and the demand for low-cost fabrication techniques, this study presents a simple and scalable surface polishing method for laser etched acrylic using WELD-ON 4 acrylic solvent cement, a solvent typically used for bonding thermoplastics. The method’s effectiveness was evaluated by treating acrylic samples up to three times and analyzing changes in transparency, surface roughness average (Ra), luminescence, and wettability. Results show that even a single treatment significantly improved surface smoothness, reduced light scattering, and brought contact angle and optical clarity closer to those of unetched acrylic. After three treatments, the surface became isotropic, with laser-etched lines disappearing. Specifically, a 60% reduction in Ra was observed in the direction perpendicular to the etched lines, while the parallel direction initially showed a similar trend, followed by a slight increase attributed to the formation of surface irregularities caused by the re-solidification of dissolved acrylic. Contact angle measurements indicated that the surface remained hydrophilic, with controllable wettability based on the number of treatments. Overall, this method provides a low-cost, cleanroom-free solution for improving the surface finish of laser-fabricated acrylic components. Its compatibility with complex or recessed geometries makes it particularly suitable for microfluidic devices and other precision applications requiring both optical clarity and controlled surface properties. © The Author(s), under exclusive licence to Springer-Verlag London Ltd., part of Springer Nature 2025.

关键词： Carbon dioxide lasers

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