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Modulating p-d orbital hybridization by CuO/Cu nanoparticles enables carbon nanofibers high cycling stability as anode for sodium storage

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Rare Metals 2023年第12期42卷 4039-4047页

作者： Zhi-Jia Zhang He-Yi Sun yue-fang chen Yu-Wen Zhao Meng-Meng Zhang Chun-Sheng Li Yan Sun Zhong-Hui Gao Hui-Jun Li Yong Jiang School of Materials Science and Engineering Institute of Quantum Materials and DevicesState Key Laboratory of Separation Membrane and Membrane ProcessesTiangong UniversityTianjin 300387China School of Chemistry and Life Sciences School of Materials Science&Engineeringthe Key Laboratory of Advanced Ceramics and Machining Technology by the Ministry of Education of ChinaSuzhou University of Science and TechnologySuzhou 215009China School of Materials Science&Engineering The Key Laboratory of Advanced Ceramics and Machining Technology By the Ministry of Education of ChinaTianjin UniversityTianjin 300072China Faculty of Engineering and Information Sciences University of WollongongWollongongNSW 2522Australia

Carbon nanofibers(CNFs)have been extensively studied as anode materials for sodium-ion batteries due to their high conductivity,large aspect ratio and good electrochemical *** low specific capacity and low first cycle efficiency of CNFs,however,have hindered its practical ***,we present a facile strategy to synthesize a novel CNFs decorated with Cu/CuO nanoparticles(Cu-CNFs)using magnetron sputtering ***/CuO nanoparticles were uniformly distributed on the surface of *** to the density functional theory(DFT)calculation,Cu/CuO nanoparticles d-orbitals and CNFs p-orbitals present hybridization states,and the Na~+adsorption energy of the modified CNFs decreases from-2.14 to-2.97 *** Cu-CNFs composites exhibit excellent sodium storage properties,presenting a desirable initial Coulombic efficiency of 76%and a high specific reversible capacity of 300 mAh·g^(-1)at 0.1 A·g^(-1)after 400 ***-CNFs anode has excellent cycling stability under high current density,maintaining a high capacity of 150 mAh·g^(-1)at 1 A·g^(-1)after 6000 *** magnetron sputtering to regulate the electronic structure provides a new thought for improving the electrochemical performance of carbon materials.

关键词： Carbon nanofibers Cu/CuO nanoparticles Orbital hybridization Magnetron sputtering Density functional theory calculation

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Lightweight Al-Nb-Ti-V-Cr high entropy alloys with high hardness and enhanced mechanical properties via doping Co

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China Foundry 2025年

作者： fang-dong Xu De-zhi chen Rui-run chen Bin Gan Jing-yue Yu National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of Technology Suzhou Laboratory

To develop high-hardness and high-strength lightweight high entropy alloys （LHEAs）,a series of CoxAlNbTiVCr alloys were *** phase constitution,distribution,and crystal structure of the Laves phase in alloys can be altered by adjusting the composition of HEAs,which in turn influences their mechanical *** Nb Ti VCr （x=0,0.5,1,1.5,and 2,atomic ratio percentage） LHEAs were designed and prepared to characterize the microstructure and tailor the mechanical *** introduction of Co changes the microstructure of LHEAs from a single B2 structure to a mixture dendrite structure,which consists of B2 phase,C14 and C15 Laves *** the C14 and C15 Laves phases exhibit coupled *** parameters including mixing enthalpy (ΔHmix),valence electron concentration （VEC）,atomic radius size （δ）,mixing entropy （ΔS）,and electronegativity difference （Δχ） are used to predict the formation of B2 and Laves phase in *** the Co content increases from 0 to 1.5at.%,Laves phase volume fraction gradually increases,which leads to an enhancement in the compressive strength from 1,520.8 MPa to 1,844.4 ***1.5Al Nb Ti VCr alloy exhibits the maximum Vickers hardness of 699.4 *** improvement of mechanical properties mainly originates from solid solution strengthening and second phase strengthening.

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Efficient photocatalytic reduction of CO2 to formate by a molecular noble metal-free system

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Science China Chemistry 2025年第1期68卷 152-156页

作者： Lihua Zhang Lingjing chen Huatian Shi yue Wei Gui chen Tai-Chu Lau School of Environment and Civil Engineering Research Center for Eco-environmental Engineering Dongguan University of Technology Department of Chemistry and Institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/Ag Cl） in the presence of 12 m M Et3NHBF4also produced HCOO-with Faradaic efficiency of 39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

关键词： photocatalysis noble metal-free CO2 reduction formate cobalt hydride

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Inexact proximal gradient algorithm with random reshuffling for nonsmooth optimization

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Science China(Information Sciences) 2025年第1期68卷 219-237页

作者： Xia JIANG Yanyan fang Xianlin ZENG Jian SUN Jie chen National Key Lab of Autonomous Intelligent Unmanned Systems School of AutomationBeijing Institute of Technology Beijing Institute of Technology Chongqing Innovation Center School of Electronic and Information Engineering Tongji University

Proximal gradient algorithms are popularly implemented to achieve convex optimization with nonsmooth regularization. Obtaining the exact solution of the proximal operator for nonsmooth regularization is challenging because errors exist in the computation of the gradient; consequently, the design and application of inexact proximal gradient algorithms have attracted considerable attention from researchers. This paper proposes computationally efficient basic and inexact proximal gradient descent algorithms with random reshuffling. The proposed stochastic algorithms take randomly reshuffled data to perform successive gradient descents and implement only one proximal operator after all data pass through. We prove the convergence results of the proposed proximal gradient algorithms under the sampling-without-replacement reshuffling *** computational errors exist in gradients and proximal operations, the proposed inexact proximal gradient algorithms can converge to an optimal solution neighborhood. Finally, we apply the proposed algorithms to compressed sensing and compare their efficiency with some popular algorithms.

关键词： proximal operator random reshuffling inexact computation compressed sensing nonsmooth optimization

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含分散时滞反馈的chen系统的分支分析

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数学学报（中文版） 2007年第1期50卷 63-74页

作者：管俊彪陈芳跃上海大学数学系上海200444 浙江师范大学数理学院金华321004

研究了含分散时滞反馈的chen系统,利用Routh-Hurwitz准则分析了在弱核及强核情形下平衡点的局部稳定性及Hopf分支的存在性．还运用规范型理论及中心流形定理,得出了包括决定分支周期解的方向、稳定性和周期的清晰的计算公式,其结果可用... 详细信息

研究了含分散时滞反馈的chen系统,利用Routh-Hurwitz准则分析了在弱核及强核情形下平衡点的局部稳定性及Hopf分支的存在性．还运用规范型理论及中心流形定理,得出了包括决定分支周期解的方向、稳定性和周期的清晰的计算公式,其结果可用于混沌控制分析．

关键词：稳定性 chen系统 Hopf分支

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Isobaric enzymatic assays reveal depth-dependent variation in microbial ectoenzyme activities in the deepest ocean on Earth

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Science China Earth Sciences 2025年第1期68卷 185-194页

作者： Junwei CAO Jiahua WANG Hongge ZHANG Junhao DENG Binbin PAN Jiawang chen Li ZHANG Jiasong fang College of Oceanography and Ecological Science Shanghai Ocean University Ocean College Zhejiang University Laboratory for Marine Biology and Biotechnology Qingdao National Laboratory for Marine Science and Technology

Microbial ectoenzymes play essential roles in the transformation and mineralization of organic matter in the ***, conventional methods for measuring microbial ectoenzyme activities(MEAs) in the deep ocean under atmospheric conditions can misrepresent the metabolic activities of indigenous microbial communities. To overcome this limitation, we measured the activities of three microbial ectoenzymes(aminopeptidase, α-glucosidase, and β-glucosidase) under both atmospheric and in situ pressure conditions in seawater collected using pressure-retaining and non-pressure-retaining samplers in the Challenger Deep, Mariana Trench. In the case of aminopeptidase and α-glucosidase, the highest isobaric MEAs were observed in the surface layer(50 m), followed by those at abyssopelagic depths(4,000–6,000 m) for aminopeptidase, hadal realm(10,903 m)for α-glucosidase, while β-glucosidase activity exhibited the highest value at 10,903 m. Furthermore, the isobaric MEAs in hadal waters were commonly found to be higher than the decompressed counterparts, highlighting the importance of pressure-retaining sampling and isobaric enzymatic assays. The half-saturation constant(Km) showed a general decreasing trend with depth,suggesting that the deep ocean microbes might have adapted to the high-pressure and oligotrophic environment by increasing their ectoenzyme's affinity to substrate. Furthermore, particle-free MEAs contribute more to the total MEAs in the deep ocean than particle-associated MEAs, suggesting the significance of cell-associated and dissolved ectoenzymes in ocean *** study provides a foundation for future investigations of MEAs in the ocean and has important implications for understanding the dynamics of microbially mediated biogeochemical cycling in marine ecosystems.

关键词： Pressure-retaining sampling Microbial ectoenzyme activity Deep-sea microbes High pressure Mariana Trench

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1.56 kV/30 A vertical β-Ga2O3 Schottky barrier diodes with composite edge terminations

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Science China(Information Sciences) 2025年

作者： Yitao FENG Hong ZHOU Sami ALGHAMDI Hao fang Xiaorong ZHANG Yanbo chen Guotao TIAN Saud WASLY yue HAO Jincheng ZHANG Key Lab of Wide Band Gap Semiconductor Materials and Devices School of MicroelectronicsXidian University Center of Excellence in Intelligent Engineering Systems (CEIES) King Abdulaziz University China Resources Microelectronics Limited(Wuxi)

In recent years, large-area wide-bandgap (WBG) semiconductor materials have achieved numerous notable breakthroughs [1, 2]. The ultra-WBG semiconductor β-Ga2O3,with its excellent material properties, is ideally suited for the fabrication of power devices. Moreover, it offers easily obtainable large-area substrates, with reported sizes up to 6 inches, produced through melt-grown crystal growth methods. These characteristics make β-Ga2O3 highly attractive for future low-cost commercialization. Despite these advances, most research has focused on low-current and small-size diodes, with few studies addressing high-current and large-size diodes.

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High Fe‑Loading Single‑Atom Catalyst Boosts ROS Production by Density Effect for Efficient Antibacterial Therapy

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Nano-Micro Letters 2025年第2期17卷 187-203页

作者： Si chen fang Huang Lijie Mao Zhimin Zhang Han Lin Qixin Yan Xiangyu Lu Jianlin Shi Department of Cardiology Shanghai Tenth People’s HospitalSchool of MedicineTongji UniversityShanghai 200092People’s Republic of China Shanghai Institute of Ceramics Chinese Academy of SciencesShanghai 200050People’s Republic of China Shanghai Frontiers Science Center of Nanocatalytic Medicine School of MedicineTongji UniversityShanghai 200092People’s Republic of China

The current single-atom catalysts(SACs)for medicine still suffer from the limited active site ***,we develop a synthetic method capable of increasing both the metal loading and mass-specific activity of SACs by exchanging zinc with *** constructed iron SACs(h^(3)-FNC)with a high metal loading of 6.27 wt%and an optimized adjacent Fe distance of~4 A exhibit excellent oxidase-like catalytic performance without significant activity decay after being stored for six months and promising antibacterial ***,a“density effect”has been found at a high-enough metal doping amount,at which individual active sites become close enough to interact with each other and alter the electronic structure,resulting in significantly boosted intrinsic activity of single-atomic iron sites in h^(3)-FNCs by 2.3 times compared to low-and medium-loading ***,the overall catalytic activity of h^(3)-FNC is highly improved,with mass activity and metal mass-specific activity that are,respectively,66 and 315 times higher than those of commercial Pt/*** addition,h^(3)-FNCs demonstrate efficiently enhanced capability in catalyzing oxygen reduction into superoxide anion(O_(2)·^(−))and glutathione(GSH)*** in vitro and in vivo assays demonstrate the superior antibacterial efficacy of h^(3)-FNCs in promoting wound *** work presents an intriguing activity-enhancement effect in catalysts and exhibits impressive therapeutic efficacy in combating bacterial infections.

关键词： Nanocatalytic medicine Single-atom catalysts Reactive oxygen species(ROS) High metal loading Oxidase catalysis

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Upcycling of polyethylene terephthalate to1,4-cyclohexanedimethanol in water

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Science China Chemistry 2025年

作者： Shuhui fang Zhiwen Gao Xinrui Shi Min Zhang Wei Zhang yue Liu State Key Laboratory of Petroleum Molecular & Process Engineering Shanghai Key Laboratory of Green Chemistry and Chemical ProcessesSchool of Chemistry and Molecular Engineering East China Normal University Engineering Center for Sustainable Carbon Science and Technology East China Normal University Institute of Eco-Chongming

The recycling of waste polyethylene terephthalate（PET）, an extensively used polymer as plastic and fiber materials, has become an urgent topic due to the rapid generation and accumulation of plastic waste into the environment. Current chemical recycling approaches to depolymerize and convert PET into 1,4-cyclohexanedimethanol（CHDM）, an important chemical in the production of advanced polyesters, predominantly use organic solvents, such as alcohols or dioxane. Herein, we developed an environmentally friendly and economically viable pathway for converting PET to CHDM using water as the solvent. In this process, PET is sequentially hydrolyzed in water, hydrogenated to 1,4-cyclohexane dicarboxylic acid（CHDA）, and then reduced to CHDM. The PET conversion rate is self-enhanced in aqueous medium via acid-catalyzed hydrolysis by the generated CHDA intermediate. A Pd-based catalyst（e.g., Pd/C） selectively hydrogenates the arene ring of the PET monomer, terephthalic acid intermediate, and a Ru-Sn/C bimetallic catalyst reduces its COOH to CH2OH group. At optimized reaction conditions, a complete conversion of PET and 80.1% yield of CHDM are obtained. Alternatively, this approach can also efficiently produce CHDA from PET, with a yield up to 86.4%.

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Trinuclear gold-catalyzed site-selective alkylation of peptides

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Science China Chemistry 2025年第1期68卷 249-256页

作者： Qing-Yun fang chengyihan Gu Yinghan chen Wencheng Yan Yong Liang Weipeng Li chengjian Zhu Jie Han Jin Xie State Key Laboratory of Coordination Chemistry Jiangsu Key Laboratory of Advanced Organic Materials Chemistry and Biomedicine Innovation Center (Chem BIC) School of Chemistry and Chemical Engineering Nanjing University Green Catalysis Center College of Chemistry Zhengzhou University State Key Laboratory of Natural Medicines China Pharmaceutical University

Selective modification of peptides has always been a challenging issue. The selective alkylation of peptides can alter the biological activity and physical properties of molecules, and it has gained significant research interest. We herein disclose an intriguing gold-catalyzed alkylation of peptides using bench-stable unactivated alkyl bromides under photoredox catalysis. A wide range of structurally diverse primary, secondary and tertiary alkyl bromides serve as effective coupling partners to precisely connect with the α-C(sp3)–H in glycine residue of peptides. This protocol demonstrates an exceptionally broad scope for alkyl halides and excellent tolerance for a wide range of useful functional groups. A series of relay transformations to construct cyclic peptides, to proceed click reaction and to realize peptide fluorescence labeling further enhance its synthetic practicality. In addition, mechanistic studies and density functional theory(DFT) calculations reveal an inner-sphere and subsequent outersphere single electron transfer(SET) mechanism.

关键词： gold catalysis peptide alkylation C-C coupling radical

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