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Mg/Fe site-specific dual-doping to boost the performance of cobalt-free nickle-rich layered oxide cathode for high-energy lithium-ion batteries

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Journal of Energy Chemistry 2024年第4期91卷 670-679页

作者： Yunting Wang Gaohui Du Di Han Wenhao Shi Jiahao Deng Huayu Li wenqi zhao Shukai Ding Qingmei Su Bingshe Xu Materials Institute of Atomic and Molecular Science Shaanxi University of Science and TechnologyXi'an 710021ShanxiChina Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030024ShanxiChina Key Laboratory of Interface Science and Engineering in Advanced Materials Taiyuan University of TechnologyTaiyuan 030024ShanxiChina

Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.

关键词： Cobalt-free Layered oxide Cathode Dual dopants Density functional theory calculation

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ASGR1:an emerging therapeutic target in hypercholesterolemia

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Signal Transduction and Targeted Therapy 2023年第2期8卷 335-337页

作者： wenqi zhao Suowen Xu Jianping Weng Department of Endocrinology Institute of Endocrine and Metabolic DiseasesThe First Affiliated Hospital of USTCDivision of Life Sciences and MedicineClinical Research Hospital of Chinese Academy of Sciences(Hefei)University of Science and Technology of ChinaHefei230027China

In a recent study published in Nature,Wang et al.1 discovered that inhibition of asialoglycoprotein receptor 1(ASGR1)increased cholesterol efflux and thus lowered blood cholesterol and reduced atherosclerosis.This study offers an emerging new therapeutic target in hypercholesterolemia and its comorbidities and complications(such as fatty liver and atherosclerosis),which are major threats to public health.

关键词： therapeutic cholesterol al.

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A Data-Driven Oil Production Prediction Method Based on the Gradient Boosting Decision Tree Regression

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Computer Modeling in Engineering & Sciences 2023年第3期134卷 1773-1790页

作者： Hongfei Ma wenqi zhao Yurong zhao Yu He School of Energy Resources China University of Geosciences(Beijing)Beijing100083China Research Institute of Petroleum Exploration and Development China National Petroleum CorporationBeijing100083China

Accurate prediction ofmonthly oil and gas production is essential for oil enterprises tomake reasonable production plans,avoid blind investment and realize sustainable development.Traditional oil well production trend prediction methods are based on years of oil field production experience and expertise,and the application conditions are very demanding.With the rapid development of artificial intelligence technology,big data analysis methods are gradually applied in various sub-fields of the oil and gas reservoir development.Based on the data-driven artificial intelligence algorithmGradient BoostingDecision Tree(GBDT),this paper predicts the initial single-layer production by considering geological data,fluid PVT data and well data.The results show that the GBDT algorithm prediction model has great accuracy,significantly improving efficiency and strong universal applicability.The GBDTmethod trained in this paper can predict production,which is helpful for well site optimization,perforation layer optimization and engineering parameter optimization and has guiding significance for oilfield development.

关键词： Gradient boosting decision tree production prediction data analysis

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Experimental Study on Ratio and Performance of Coal Gangue/Bottom Ash Geopolymer Double-Liquid Grouting Material

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Journal of Renewable Materials 2023年第7期11卷 3073-3089页

作者： wenqi zhao Wenbin Sun Zhenbo Cao Jianbang Hao College of Energy and Mining Engineering Shandong University of Science and TechnologyQingdao266590China State Key Laboratory of Coal Mining and Clean Utilization China Coal Research InstituteBeijing100013China College of Earth and Mineral Sciences Pennsylvania State University—University ParkState CollegePA 16801USA

Mine grouting reinforcement and water plugging projects often require large amounts of grouting materials.To reduce the carbon emission of grouting material production,improve the utilization of solid waste from mining enterprises,and meet the needs of mine reinforcement and seepage control,a double-liquid grouting material containing a high admixture of coal gangue powder/bottom ash geopolymer was studied.The setting time,fluidity,bleeding rate,and mechanical properties of grouting materials were studied through laboratory tests,and SEM analyzed the microstructure of the materials.The results show that the total mixture of calcined gangue does not exceed 60%.And the proportion of bottom ash replacing cement should be within 30%.At the same time,the volume mixture of sodium silicate is 20%.And the water-solid ratio does not exceed 0.6.The stability of the slurry prepared under this ratio is good.The microstructure of the stone body is dense,and its strength can meet the requirements of rock reinforcement and seepage control.Its economic and environmental benefits are more significant than the traditional cement-silicate double-liquid grouting material.

关键词： Coal gangue municipal solid waste sodium silicate double liquid grouting material

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Sulfur-deficient CoNi_(2)S_(4)nanoparticles-anchored porous carbon nanofibers as bifunctional electrocatalyst for overall water splitting

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Frontiers of Chemical Science and Engineering 2023年第11期17卷 1707-1717页

作者： Gaohui Du Yi Fan Lina Jia Yunting Wang Yawen Hao wenqi zhao Qingmei Su Bingshe Xu Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030000China Materials Institute of Atomic and Molecular Science Shaanxi University of Science and TechnologyXi’an 710021China

Water electrolysis technology is considered to be one of the most promising means to produce hydrogen.Herein,aiming at the problems of high overpotential and slow kinetics in water splitting,N-doped porous carbon nanofibers-coupled CoNi_(2)S_(4)nanoparticles are prepared as bifunctional electrocatalyst.In the strategy,NaCl is used as the template to prepare porous carbon nanofibers with a large surface area,and sulfur vacancies are created to modulate the electronic structure of CoNi_(2)S_(4).Electron spin resonance confirms the formation of abundant sulfur vacancies,which largely reduce the bandgap of CoNi_(2)S_(4)from 1.68 to 0.52 eV.The narrowed bandgap is conducive to the migration of valence electrons and decreases the charge transfer resistance for electrocatalytic reaction.Moreover,the uniform distribution of CoNi_(2)S_(4)nanoparticles on carbon nanofibers can prevent the aggregation and facilitate the exposure of electrochemical active sites.Therefore,the composite catalyst exhibits low overpotentials of 340 mV@100 mA·cm^(-2)for oxygen evolution reaction and 380 mV@100 mA·cm^(-2)for hydrogen evolution reaction.The assembled electrolyzer requires 1.64 V to achieve 10 mA·cm^(-2)for overall water-splitting with good long-term stability.The excellent performance results from the synergistic effect of porous structures,sulfur deficiency,nitrogen doping,and the well-dispersed active component.

关键词： nanoparticle sulfur vacancy porous carbon nanofiber transition metal sulfides electrolysis

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Unraveling the degradation mechanism of LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2) at the high cut-off voltage for lithium ion batteries

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Journal of Energy Chemistry 2023年第2期77卷 428-437,I0011页

作者： Liming Wang Qingmei Su Bin Han Weihao Shi Gaohui Du Yunting Wang Huayv Li Lin Gu wenqi zhao Shukai Ding Miao Zhang Yongzhen Yang Bingshe Xu School of Materials Science&Engineering Shaanxi University of Science and TechnologyXi’an 710021ShaanxiChina Materials Institute of Atomic and Molecular Science Shaanxi University of Science and TechnologyXi’an 710021ShaanxiChina School of Materials Science&Engineering Tsinghua UniversityBeijing 100084China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030032ShanxiChina Key Laboratory of Interface Science and Engineering in Advanced Materials Taiyuan University of TechnologyTaiyuan 030024ShanxiChina

LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)layered oxides have been regarded as promising alternative cathodes for the next generation of high-energy lithium ion batteries(LIBs)due to high discharge capacities and energy densities at high operation voltage.However,the capacity fading under high operation voltage still restricts the practical application.Herein,the capacity degradation mechanism of NCM811 at atomic-scale is studied in detail under various cut-off voltages using aberration-corrected scanning transmission electron microscopy(STEM).It is observed that the crystal structure of NCM811 evolution from a layered structure to a rock-salt phase is directly accompanied by serious intergranular cracks under 4.9 V,which is distinguished from the generally accepted structure evolution of layered,disordered layered,defect rock salt and rock salt phases,also observed under 4.3 and 4.7 V.The electron energy loss spectroscopy analysis also confirms the reduction of Ni and Co from the surface to the bulk,not the previously reported only Li/Ni interlayer mixing.The degradation mechanism of NCM811 at a high cut-off voltage of4.9 V is attributed to the formation of intergranular cracks induced by defects,the direct formation of the rock salt phase,and the accompanied reduction of Ni^(2+)and Co^(2+)phases from the surface to the bulk.

关键词： Ni-rich layered cathode Electrochemical performance Degradation mechanism Crack Atomic scale

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上海城市气质在展陈作品中的体现

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丝网印刷 2024年第13期 56-58页

作者：赵文琪广西师范大学美术学院

上海是我国的经济、金融、贸易、航运中心,历史悠久,有着独特的城市气质与艺术气质,文章以上海著名当代艺术馆举办的设计展为例,分析当代艺术品市场的商业力量体现。

关键词：上海当代艺术馆设计展

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含醚键双二氮杂萘酮结构聚芳醚腈砜的合成与性能

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高分子材料科学与工程 2024年第1期40卷 1-7页

作者：张振东刘程安晓亮陈曦顾宏剑赵文淇蹇锡高大连理工大学化工学院高分子材料系辽宁大连116024 辽宁省高性能树脂材料专业技术创新中心辽宁大连116012

文中以含醚键双二氮杂萘酮结构化合物4,4’-双(氧基(1,4-苯撑))-双二氮杂萘-1(2H)酮-二苯醚(OBDHPZ)为类双酚单体,与4,4’-二氟二苯砜(DFS)和2,6’-二氟苯腈(DFBN)进行高温溶液缩聚反应,通过调节聚合物分子主链中砜基和氰基等的含量,合... 详细信息

文中以含醚键双二氮杂萘酮结构化合物4,4’-双(氧基(1,4-苯撑))-双二氮杂萘-1(2H)酮-二苯醚(OBDHPZ)为类双酚单体,与4,4’-二氟二苯砜(DFS)和2,6’-二氟苯腈(DFBN)进行高温溶液缩聚反应,通过调节聚合物分子主链中砜基和氰基等的含量,合成了一系列不同腈砜比的含醚键双二氮杂萘酮联苯结构聚芳醚腈砜树脂(PBPENS),其N-甲基吡咯烷酮(NMP)溶液在25℃的特性黏度为0.63~0.90 dL/g。通过红外光谱、核磁共振氢谱和广角X射线衍射仪表征了所合成聚芳醚腈砜的结构;通过差示扫描量热仪和热失重分析仪分析了该类聚芳醚腈砜的热性能,聚合物的玻璃化转变温度(Tg)在322~325℃,5%热失重温度(Td5%)在485~500℃。该类聚合物在常温时可溶解于NMP、N,N-二甲基乙酰胺(DMAc)、氯仿等极性非质子有机溶剂;采用溶液浇筑法制备了含醚键双二氮杂萘酮结构聚芳醚腈砜薄膜,薄膜的拉伸强度可以达到56~65 MPa。

关键词：双二氮杂萘酮聚芳醚腈砜合成耐热性溶解性

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Engineering single-molecule fluorescence withasymmetric nano-antennas

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Light(Science & Applications) 2021年第5期10卷 858-866页

作者： wenqi zhao Xiaochaoran Tian Zhening Fang Shiyi Xiao Meng Qiu Qiong He Wei Feng Fuyou Li Yuanbo Zhang Lei Zhou Yan-Wen Tan State Key Laboratory of Surface Physics and Department of Physics Fudan UniversityShanghai 200433China Shanghai Institute for Advanced Communication and Data Science Shanghai UniversityShanghai 200444China Key Laboratory of Specialty Fiber Optics and Optical Access Networks Joint International Research Laboratory of Specialty Fiber Optics and Advanced CommunicationShanghai UniversityShanghai 200444China Department of Chemistry and State Key Laboratory of Molecular Engineering of Polymers Fudan UniversityShanghai 200433China Institute for Nanoelectronic Devices and Quantum Computing Fudan UniversityShanghai 200433China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093China Multiscale Research Institute of Complex Systems Fudan UniversityShanghai 200433China

As a powerful tool for studying molecular dynamics in bioscience,single-molecule fluorescence detection providesdynamical information buried in ensemble experiments.Fluorescence in the near-infrared(NIR)is particularly usefulbecause it offers higher signal-to-noise ratio and increased penetration depth in tissue compared with visiblefluorescence.The low quantum yield of most NIR fluorophores,however,makes the detection of single-moleculefluorescence difcult.Here,we use asymmetric plasmonic nano-antenna to enhance the fluorescence intensity ofAlEE1000,a typical NIR dye,by a factor up to 405.The asymmetric nano-antenna achieve such an enhancement mainlyby increasing the quantum yield(to~80%)rather than the local field,which degrades the molecules'photostability.Our coupled-mode-theory analysis reveals that the enhancements stem from resonance-matching between antennaand molecule and,more importantly,from optimizing the coupling between the near-and far-ield modes withdesigner asymmetric structures.Our work provides a universal scheme for engineering single-molecule fluorescence inthe near-infrared regime.

关键词： stability. asymmetric quantum

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纳米粒子稳定的Pickering乳液及其液滴聚并动力学研究进展

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化工学报 2024年第1期75卷 33-46页

作者：赵文琪邓燕君朱春英付涛涛马友光天津大学化工学院化学工程联合国家重点实验室天津300072

乳液是一种良好的分散体系,可用于医药、食品、材料等领域。纳米粒子可以有效提高乳液的稳定性,因此,纳米粒子稳定乳液及液滴聚并动力学研究对于稳定乳液的制备及应用具有重要意义。纳米粒子润湿性、尺寸、形状、浓度、携带电荷类型等... 详细信息

乳液是一种良好的分散体系,可用于医药、食品、材料等领域。纳米粒子可以有效提高乳液的稳定性,因此,纳米粒子稳定乳液及液滴聚并动力学研究对于稳定乳液的制备及应用具有重要意义。纳米粒子润湿性、尺寸、形状、浓度、携带电荷类型等均会对颗粒与液滴间的相互作用产生影响,进而影响液滴间的聚并行为。对纳米粒子与液滴间的作用机制进行了介绍,并对液滴的聚并动力学研究进展进行了综述,同时对未来的研究方向进行了展望。

关键词：纳米粒子液滴聚并动力学模拟乳液

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