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Cationic ordering transition in oxygen-redox layered oxide cathodes

Carbon Energy 2024年第1期6卷 197-206页

作者： Xinyan Li Ang Gao Qinghua Zhang Hao Yu Pengxiang Ji Dongdong Xiao Xuefeng Wang Dong Su xiaohui rong Xiqian Yu Hong Li Yong-Sheng Hu Lin Gu Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijingChina College of Materials Science and Opto-Electronic Technology University of Chinese Academy of SciencesBeijingChina Beijing National Center for Electron Microscopy and Laboratory of Advanced Materials School of Materials Science and EngineeringTsinghua UniversityBeijingChina Beijing Advanced Innovation Center for Materials Genome Engineering Huairou DivisionInstitute of PhysicsChinese Academy of SciencesBeijingChina

Understanding the structural origin of the competition between oxygen 2p and transition-metal 3d orbitals in oxygen-redox(OR)layered oxides is eminently desirable for exploring reversible and high-energy-density Li/Na-ion cathodes.Here,we reveal the correlation between cationic ordering transition and OR degradation in ribbon-ordered P3-Na_(0.6)Li_(0.2)Mn_(0.8)O_(2) via in situ structural analysis.Comparing two different voltage windows,the OR capacity can be improved approximately twofold when suppressing the in-plane cationic ordering transition.We find that the intralayer cationic migration is promoted by electrochemical reduction from Mn^(4+)to Jahn–Teller Mn^(3+)and the concomitant NaO_(6) stacking transformation from triangular prisms to octahedra,resulting in the loss of ribbon ordering and electrochemical decay.First-principles calculations reveal that Mn^(4+)/Mn^(3+)charge ordering and alignment of the degenerate eg orbital induce lattice-level collective Jahn–Teller distortion,which favors intralayer Mn-ion migration and thereby accelerates OR degradation.These findings unravel the relationship between in-plane cationic ordering and OR reversibility and highlight the importance of superstructure protection for the rational design of reversible OR-active layered oxide cathodes.

关键词： cationic ordering layered oxide cathodes oxygen redox sodium-ion batteries

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Unlocking the multi-electron transfer reaction in NASICON-type cathode materials

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Materials Futures 2023年第2期2卷 109-122页

作者： Yuan Liu xiaohui rong Fei Xie Yaxiang Lu Junmei Zhao Liquan Chen Yong-Sheng Hu Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190People’s Republic of China College of Materials Science and Optoelectronic Technology University of Chinese Academy of SciencesBeijing 100049People’s Republic of China Yangtze River Delta Physics Research Center Co.Ltd Liyang 213300People’s Republic of China Huairou Division Institute of PhysicsChinese Academy of SciencesBeijing 101400People’s Republic of China CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Biochemical EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijingPeople’s Republic of China

The growing concern about scarcity and large-scale applications of lithium resources has attracted efforts to realize cost-effective phosphate-based cathode materials for next-generation Na-ion batteries(NIBs).In previous work,a series of materials(such as Na_(4)Fe_(3)(PO_(4))_(2)(P_(2)O_(7)),Na_(3)VCr(PO_(4))_(3),Na_(4)VMn(PO_(4))3,Na_(3)MnTi(PO_(4))_(3),Na_(3)MnZr(PO_(4))3,etc)with∼120 mAh g^(-1) specific capacity and high operating potential has been proposed.However,the mass ratio of the total transition metal in the above compounds is only∼22 wt%,which means that one-electron transfer for each transition metal shows a limited capacity(the mass ratio of Fe is 35.4 wt%in LiFePO_(4)).Therefore,a multi-electron transfer reaction is necessary to catch up to or go beyond the electrochemical performance of LiFePO_(4).This review summarizes the reported NASICON-type and other phosphate-based cathode materials.On the basis of the aforementioned experimental results,we pinpoint the multi-electron behavior of transition metals and shed light on designing rules for developing high-capacity cathodes in NIBs.

关键词： NASICON Na-ion batteries cathode materials multi-electron transfer reactions

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科研机构整体绩效评价指标体系优化研究

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图书情报工作 2024年第11期68卷 72-81页

作者：何峻于建军荣晓慧中国科学院大学经济与管理学院管理科学与工程系北京100871 中国科学院计算机网络信息中心北京100871

[目的/意义]科研机构绩效评价能够对科研机构的科研活动及其产出和影响的价值进行有效评价,建立科学合理的绩效评价指标体系是绩效评价的核心内容。[方法/过程]设计一套系统性的分领域、分区域的绩效评价指标体系,为支撑科研评价改革提... 详细信息

[目的/意义]科研机构绩效评价能够对科研机构的科研活动及其产出和影响的价值进行有效评价,建立科学合理的绩效评价指标体系是绩效评价的核心内容。[方法/过程]设计一套系统性的分领域、分区域的绩效评价指标体系,为支撑科研评价改革提供绩效评价指标构建方法。针对科研机构绩效评价的特点,构建基于随机森林算法的科研机构绩效评价指标体系优化模型。通过分析现有指标体系中指标的贡献值,筛选出绩效评价共性关键指标,同时在优化指标体系中,针对不同学科领域和区域,分别分析其指标体系中指标的重要性,优化共性指标和个性指标的结构权重比例,建立一套系统性的分领域、区域的科研机构绩效评价指标体系。[结果/结论]该指标体系在最大化地满足科研机构评价目标设定的同时,又能针对科研机构学科领域多、区域分布广的特点,对指标进行动态、适度地调整。

关键词：绩效评价指标体系优化随机森林算法

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P2-type Na_(0.6)[Mg(Ⅱ)_(0.3)Mn(Ⅳ)_(0.7)]O_2 as a new model material for anionic redox reaction

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Chinese Chemical Letters 2018年第12期29卷 1791-1794页

作者： xiaohui rong Fei Gao Yaxiang Lu Kai Yang Yongsheng Hu State Key Laboratory of Operation and Control of Renewable Energy and Storage Systems China Electric Power Research Institute Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and Devices Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences

A new model material of Na[Mg(Ⅱ)Mn(Ⅳ)]O, with only Mgand Mnin the transition metal layers, is synthesized for the research of anionic redox reaction. The material delivers a capacity of ～130 mAh/g with a long plateau at ～4.2 V in the initial charge profile, indicating anionic redox reaction(ARR) involved during the initial desodiation process. In the following cycles, the reversible capacity can reach a high value of ～210 mAh/g, which is probably derived from the participation of both ARR and Mn/Mnredox couples, further proving the charge compensation from ARR during the initial charge and following cycles. The designed cathode material without Mnhelps avoid the influence of oxygen activity from transition metals, enabling the investigation of ARR without other distractions.

关键词： Na-ion batteries Layered oxide Cathode Anionic redox reaction Na_(0.6)[Mg_(0.3)Mn_(0.7)]O_2

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Nortriterpenoids from the fruit stalk of Schisandra chinensis (Turcz.) Baill.

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Frigid Zone Medicine 2022年第2期2卷 103-108页

作者： Yan Liu xiaohui rong Yuanhang Chang Juan Pan Wei Guan Haixue Kuang Bingyou Yang Key Laboratory of Basic and Application Research of Beiyao(Heilongjiang University of Chinese Medicine) Ministry of EducationHarbin 150040China Key Laboratory of Forest Plant Ecology Ministry of EducationNortheast Forestry UniversityHarbin 150040China

Objective:The fruit stalk of Schisandra chinensis(Turcz.)Baill.(S.chinensis)has been found to contain bioactive components similar to the fruit of S.chinensis.Here,we report a recent discovery about new nortriterpenoids with a novel skeleton and anti-gastric cancer activity,which were isolated from the fruit stalk of S.chinensis.Methods:The chemical components of ethyl acetate extract from 70%ethanol extract from S.chinensis fruit stalk were separated,purified,and identified by liquid chromatography methods(silica gel,ODS,HPLC)and extensive spectroscopic analyses(NMR,IR,UV,MS,CD).Results:Two new nortriterpenoids,schilancitrilactone M and 25-hydroxyl schindilactone D(1 and 2),along with ten known nortriterpenoids(3-12)were isolated from the fruit stalk of S.chinensis.The isolated compounds were tested for their cytotoxic activities against MGC-803 cells,and the results showed that compounds 6-8 possessed significant activities with IC50 of 9.01,11.77,and 2.74μmol/L,respectively.Conclusion:Twelve nortriterpenoids including two new compounds were isolated from the fruit stalk of S.chinensis for the first time.Among them,compounds 6-8 showed significant anti-gastric cancer activities.We postulated that the fruit stalk of S.chinensis could be used as an anti-gastric cancer drug.

关键词： nortriterpenoids Schisandra chinensis(Turcz.)Baill. fruit stalk cytotoxicity MGC-803 cells

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纳豆激酶递送系统研究进展

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中国现代应用药学 2024年第9期41卷 1295-1302页

作者：刘帅荣晓辉张书锋屈磊刘芳井娟陆军军医大学士官学校医技保障系石家庄050081 解放军总医院京南医疗区北京100036

血栓栓塞性疾病严重影响着人们的身心健康,甚至危害生命。纳豆激酶(nattokinase,NK)是一种碱性丝氨酸蛋白酶,具有溶栓活性强、不良反应小等优点。但NK经口服给药,会被胃酸和胃蛋白酶降解,失去溶栓活性。采用制剂技术可以形成保护层,提... 详细信息

血栓栓塞性疾病严重影响着人们的身心健康,甚至危害生命。纳豆激酶(nattokinase,NK)是一种碱性丝氨酸蛋白酶,具有溶栓活性强、不良反应小等优点。但NK经口服给药,会被胃酸和胃蛋白酶降解,失去溶栓活性。采用制剂技术可以形成保护层,提高NK的生物利用度。本文简要介绍了NK的药理性质,讨论了NK不同剂型的特性,对NK制剂的发展进行了展望,以期促进其研究和应用。

关键词：蛋白酶纳豆激酶溶栓剂型

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Boosting reversible anionic redox reaction with Li/Cu dual honeycomb centers

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eScience 2023年第5期3卷 93-104页

作者： xiaohui rong Dongdong Xiao Qinghao Li Yaoshen Niu Feixiang Ding Xueyan Hou Qiyu Wang Juping Xu Chenglong Zhao Dong Zhou Ruijuan Xiao Xiqian Yu Wen Yin Lin Gu Hong Li Xuejie Huang Liquan Chen Yong-Sheng Hu Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and DevicesLaboratory for Advanced Materials&Electron MicroscopyBeijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100190China Yangtze River Delta Physics Research Center Co.Ltd Liyang 213300China Huairou Division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Spallation Neutron Source Science Center Dongguan 523803China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Institute of Advanced Science Facilities ShenzhenGuangdong 518107PR China

The anionic redox reaction(ARR)is a promising charge contributor to improve the reversible capacity of layeredoxide cathodes for Na-ion batteries;however,some practical bottlenecks still need to be eliminated,including a low capacity retention,large voltage hysteresis,and low rate capability.Herein,we proposed a high-Na content honeycomb-ordered cathode,P2–Na_(5/6)[Li_(1/6)Cu_(1/6)Mn_(2/3)]O_(2)(P2-NLCMO),with combined cationic/anionic redox.Neutron powder diffraction and X-ray diffraction of P2-NLCMO suggested P2-type stacking with rarely found P6322 symmetry.In addition,advanced spectroscopy techniques and density functional theory calculations confirmed the synergistic stabilizing relationship between the Li/Cu dual honeycomb centers,achieving fully active Cu^(3+)/Cu^(2+) redox and stabilized ARR with interactively suppressed local distortion.With a meticulously regulated charge/discharge protocol,both the cycling and rate capability of P2-NLCMO were significantly.

关键词： Anionic redox reaction Layered-oxide cathode Honeycomb Na-ion batteries

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Triple effects of Sn-substitution on Na0.67Ni0.33Mn0.67O2

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Journal of Materials Science & Technology 2019年第7期35卷 1250-1254页

作者： xiaohui rong Fei Gao Feixiang Ding Yaxiang Lu Kai Yang Hong Li Xuejie Huang Liquan Chen Yong-Sheng Hu State Key Laboratory of Operation and Control of Renewable Energy and Storage Systems China Electric Power Research InstituteBeijing 100192China Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and DevicesBeijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100190China

Layered oxides are one of the most prom ising cathode materials for sodium ion batteries (NIBs), however, the relatively low working voltage hinders the increase of energy density thus limiting the application scenarios of NIBs. Here we prepared and investigated a series of Sn^4+ substituted NaO.67NiO.33M na67-xSnxO2 (x = 0.10, 0.20, 0.30, 0.33) and found that Sn-substitution can induce three effects: promoting O3-stack formation, sm oothing the voltage profile and increasing the working voltage to -3.6 V. This study would enrich the knowledge of Sn-substitution and give guide to the better design of high-voltage cathode materials for NIBs.

关键词： Sodium-ion batteries Layered oxide cathode Tin-based Cathode

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A new Tin-based O3-Na_(0.9)[Ni_(0.45-x/2)Mn_xSn_(0.55-x/2)]O_2 as sodium-ion battery cathode

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Journal of Energy Chemistry 2019年第4期28卷 132-137页

作者： xiaohui rong Xingguo Qi Yaxiang Lu Yuesheng Wang Yunming Li Liwei Jiang Kai Yang Fei Gao Xuejie Huang Liquan Chen Yong-Sheng Hu State Key Laboratory of Operation and Control of Renewable Energy and Storage Systems China Electric Power Research Institute Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and Devices Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences School of Physical Sciences University of Chinese Academy of Sciences

Recently,sodium-ion batteries(SIBs),regarded as promising supplements for lithium-ion batteries(LIBs),especially in the large-scale energy storage field,are attracting more and more attention.However,the limited suitable cathode materials hinder the wide commercialization of SIBs.Given this aspect,in this work,a new layered oxide with 4d metal Tin was synthesized and investigated as cathode material for SIBs.Two optimized sodium-deficient O3-Na_(0.9)Ni_(0.45)Sn_(0.55)O_2and O3-Na_(0.9)Ni_(0.4)Mn_(0.1)Sn_(0.5)O_2were selected for comprehensive investigation,both of which exhibited high operating voltage of around 3.45 V with smooth charge/discharge curves.In comparison,O3-Na_(0.9)Ni_(0.4)Mn_(0.1)Sn_(0.5)O_2shows a higher reversible capacity(65 m A h/g,0.1 C),better rate capability and cycling stability than that of O3-Na_(0.9)Ni_(0.45)Sn_(0.55)O_2(50 mA h/g,0.1 C),indicating that a small amount of Mn-substitution can improve the electrochemical performance.This work presents a new possibility of discovering potential cathode candidates by exploring the Tin-based layered oxides.

关键词： Sodium-ion batteries Layered oxide cathode Tin-based cathode

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Hunting Sodium Dendrites in NASICON-BasedSolid-State Electrolytes

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Energy Material Advances 2021年第1期2021卷 155-164页

作者： Qiangqiang Zhang Yaxiang Lu Weichang Guo Yuanjun Shao Lilu Liu Jiaze Lu xiaohui rong Xiaogang Han Hong Li Liquan Chen Yong-Sheng Hu Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and DevicesBeijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Yangtze River Delta Physics Research Center Co.Ltd. Liyang 213300China State Key Laboratory of Electrical Insulation and Power Equipment School of Electrical EngineeringXi’an Jiaotong UniversityXi’anShaanxi 710049China

NASICON-(Na superionic conductor-)based solid-state electrolytes(SSEs)are believed to be attracting candidates for solid-state sodium batteries due to their high ionic conductivity and prospectively reliable stability.However,the poor interface compatibility and the formation of Na dendrites inhibit their practical application.Herein,we directly observed the propagation of Na dendrites through NASICON-based Na3.1Zr2Si2.1P0.9O12 SSE for the first time.Moreover,a fluorinated amorphous carbon(FAC)interfacial layer on the ceramic surface was simply developed by in situ carbonization of PVDF to improve the compatibility between Na metal and SSEs.Surprisingly,Na dendrites were effectively suppressed due to the formation of NaF in the interface when molten Na metal contacts with the FAC layer.Benefiting from the optimized interface,both the Na||Na symmetric cells and Na3V2(PO4)3||Na solidstate sodium batteries deliver remarkably electrochemical stability.These results offer benign reference to the maturation of NASICON-based solid-state sodium batteries.

关键词： stability interface compatibility

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