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Rare Metals 2024年第6期43卷 2536-2545页

作者： Lin-Tao Dou Bei Li Hao-Long Nie Dong-Dong Xiao Chao-Qun Shang Xiao-Min Wang Zhan-Hui Zhang Katerina E.Aifantis Pu Hu School of Materials Science and Engineering Wuhan Institute of TechnologyWuhan 430205China huairou division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Department of Mechanical and Aerospace Engineering University of FloridaGainesvilleFL 32603USA

LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)is the most promising cathode for high-energy Li-ion batteries,despite its poor cycling stability that originates from the reactions that occur with the ***,to solve this interfacial issue,a facile electrolytic electrochemical polymerization process was introduced in this paper,and a uniform conductive electrolyte interface(polyaniline)was successfully constructed on the surface of the NCM811 porous electrode(PANI-NCM),which facilitated the charge transfer during charge/*** side reactions at the interface between the cathode and the electrolyte are suppressed,and thereby,the cycling performance and rate capability are considerably ***-NCM delivers an initial capacity of 157.2 mAh·g^(-1)as well as excellent cyclability(capacity retention of 88%after 500 cycles at 2C),whereas the capacity of the bare NCM811 has dropped to 31.3 mAh·g^(-1).In addition,polypyrrole and polythiophene also can be formed through electrolytic electrochemical polymerization process,which provides a practicable tactic to modify the interfacial stability of cathodes for high-energy Li-ion batteries.

关键词： Lithium-ion battery Ni-rich cathode In-situ polymerization Conductive polymer Electrochemical performance

Accurate estimation of Li/Ni mixing degree of lithium nickel oxide cathode materials

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Chinese Physics B 2024年第5期33卷 631-635页

作者：陈鹏浩徐磊禹习谦李泓 Institute of Physics Chinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Beijing Frontier Research Center on Clean Energy Huairou DivisionInstitute of PhysicsChinese Academy of SciencesBeijing 101400China

Li/Ni mixing negatively influences the discharge capacity of lithium nickel oxide and high-nickel ternary cathode ***,accurately measuring the Li/Ni mixing degree is difficult due to the preferred orientation of labbased XRD measurements using Bragg–Brentano ***,we find that employing spherical harmonics in Rietveld refinement to eliminate the preferred orientation can significantly decrease the measurement error of the Li/Ni mixing *** Li/Ni mixing ratio obtained from Rietveld refinement with spherical harmonics shows a strong correlation with discharge capacity,which means the electrochemical capacity of lithium nickel oxide and high-nickel ternary cathode can be estimated by the Li/Ni mixing *** findings provide a simple and accurate method to estimate the Li/Ni mixing degree,which is valuable to the structural analysis and screening of the synthesis conditions of lithium nickel oxide and high-nickel ternary cathode materials.

关键词： lithium nickel oxide high-nickel ternary cathode Li/Ni mixing spherical harmonics function discharge capacity

Interface and mechanical degradation mechanisms of the silicon anode in sulfide-based solid-state batteries at high temperatures

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Chinese Physics B 2024年第8期33卷 117-126页

作者：王秋辰黄昱力许晶禹习谦李泓陈立泉 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 University of Chinese Academy of Sciences Beijing 100049China huairou division Institute of PhysicsChinese Academy of SciencesBeijing 101408China

Silicon(Si)is a competitive anode material owing to its high theoretical capacity and low electrochemical ***,the prospect of Si anodes in solid-state batteries(SSBs)has been proposed due to less solid electrolyte interphase(SEI)formation and particle ***,major challenges arise for Si anodes in SSBs at elevated *** this work,the failure mechanisms of Si-Li_(6)PS_(5)Cl(LPSC)composite anodes above 80℃are thoroughly investigated from the perspectives of interface stability and(electro)chemo-mechanical *** chemistry and growth kinetics of Lix Si|LPSC interphase are demonstrated by combining electrochemical,chemical and computational *** and/or Si–P compound formed at Lix Si|LPSC interface prove to be detrimental to interface stability at high *** the other hand,excessive volume expansion and local stress caused by Si lithiation at high temperatures damage the mechanical structure of Si-LPSC composite *** work elucidates the behavior and failure mechanisms of Si-based anodes in SSBs at high temperatures and provides insights into upgrading Si-based anodes for application in SSBs.

关键词： sulfide electrolytes silicon anodes interface stability degradation kinetics all-solid-state batteries

Cationic ordering transition in oxygen-redox layered oxide cathodes

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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 ***,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 *** two different voltage windows,the OR capacity can be improved approximately twofold when suppressing the in-plane cationic ordering *** 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 ***-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 *** 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

Compression of Battery X-Ray Tomography Data with Machine Learning

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Chinese Physics Letters 2024年第9期 110-115页

作者：颜子沛王其钰禹习谦李济舟吴国宝 Department of Electronic Engineering The Chinese University of Hong Kong Beijing National Laboratory for Condensed Matter Physics and Institute of PhysicsChinese Academy of Sciences huairou division Institute of Physics Chinese Academy of Sciences Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences CUHK Shenzhen Research Institute Department of Mathematics Hong Kong Baptist University

With the increasing demand for high-resolution x-ray tomography in battery characterization, the challenges of storing, transmitting, and analyzing substantial imaging data necessitate more efficient solutions. Traditional data compression methods struggle to balance reduction ratio and image quality, often failing to preserve critical details for accurate analysis. This study proposes a machine learning-assisted compression method tailored for battery x-ray imaging data.

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Surface encapsulation of layered oxide cathode material with NiTiO_(3) for enhanced cycling stability of Na-ion batteries

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Chinese Physics B 2024年第8期33卷 551-558页

作者：胡紫霖唐彬林挺张楚牛耀申刘渊高立克谢飞容晓晖陆雅翔胡勇胜 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 College of Materials Science and Optoelectronic Technology University of Chinese Academy of SciencesBeijing 100049China huairou division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Yangtze River Delta Physics Research Center Co.Ltd Liyang 213300China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100049China Guangxi Power Grid Co.Ltd. Nanning 530023China

In Na-ion batteries,O3-type layered oxide cathode materials encounter challenges such as particle cracking,oxygen loss,electrolyte side reactions,and multi-phase transitions during the charge/discharge *** study focuses on surface coating with NiTiO_(3) achieved via secondary heat treatment using a coating precursor and the surface *** in-situ x-ray diffraction(XRD)and differential electrochemical mass spectrometry(DEMS),along with crystal structure characterizations of post-cycling materials,it was determined that the NiTiO_(3) coating layer facilitates the formation of a stable lattice structure,effectively inhibiting lattice oxygen loss and reducing side reaction with the *** enhancement in cycling stability was evidenced by a capacity retention of approximately 74%over 300 cycles at 1 C,marking a significant 30%improvement over the initial ***,notable advancements in rate performance were *** results indicate that a stable and robust surface structure substantially enhances the overall stability of the bulk phase,presenting a novel approach for designing layered oxide cathodes with higher energy density.

关键词： Na-ion battery layered oxides high voltage surface coating

Anomalous Josephson Effect in Topological Insulator-Based Josephson Trijunction

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Chinese Physics Letters 2022年第1期39卷 31-35页

作者： Xiang Zhang Zhaozheng Lyu Guang Yang Bing Li Yan-Liang Hou Tian Le Xiang Wang Anqi Wang Xiaopei Sun Enna Zhuo Guangtong Liu Jie Shen Fanming Qu Li Lu Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China huairou division Institute of PhysicsChinese Academy of SciencesBeijing 100190China Songshan Lake Materials Laboratory Dongguan 523808China

We studied anomalous Josephson effect(AJE) in Josephson trijunctions fabricated on Bi_(2)Se_(3), and found that the AJE in T-shaped trijunctions significantly alters the Majorana phase diagram of the trijunctions, when an in-plane magnetic field is applied parallel to two of the three single junctions. Such a phenomenon in topological insulator-based Josephson trijunction provides unambiguous evidence for the existence of AJE in the system, and may provide an additional knob for controlling the Majorana bound states in the Fu–Kane scheme of topological quantum computation.

关键词： computation Josephson topological

Understanding the battery safety improvement enabled by a quasi-solid-state battery design

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Chinese Physics B 2022年第11期31卷 36-41页

作者： Luyu Gan Rusong Chen Xiqian Yu Hong Li Beijing Advanced Innovation Center for Materials Genome Engineering Institute of PhysicsChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Beijing Frontier Research Center on Clean Energy Huairou DivisionInstitute of PhysicsChinese Academy of SciencesBeijing 101400China

The rapid development of lithium-ion batteries(LIBs)is faced with challenge of its safety bottleneck,calling for design and chemistry *** the proposed strategies,the development of solid-state batteries(SSBs)seems the most promising solution,but to date no practical SSB has been in large-scale *** safety performance of SSBs is also *** this article,a brief review on LIB safety issue is made and the safety short boards of LIBs are emphasized.A systematic safety design in quasi-SSB chemistry is proposed to conquer the intrinsic safety weak points of LIBs and the effects are accessed based on existing *** is believed that a systematic and targeted solution in SSB chemistry design can effectively improve the battery safety,promoting larger-scale application of LIBs.

关键词： battery safety thermodynamics kinetics solid-state batteries

Brightening thiocyanate-anion layered perovskite through internal stress modulated nano phase segregation

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Nano Research 2023年第4期16卷 5533-5540页

作者： Yiming Li Jiangjian Shi Huijue Wu Yanhong Luo Dongmei Li Qingbo Meng Key Laboratory for Renewable Energy Chinese Academy of SciencesBeijing Key Laboratory for New Energy Materials and DevicesInstitute of PhysicsChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China huairou division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Songshan Lake Materials Laboratory Dongguan 523808China

Thiocyanate-anion(SCN−)two-dimensional(2D)layered perovskite with internal stress-controlled nano phase segregation has been firstly demonstrated as a promising material system for luminescence *** interesting energy band structure is found as well as charge transfer process caused by nano phase segregation,which provide an alternative route to overcome the indirect-bandgap luminescence limit of SCN layered *** is revealed that,within the SCN layered framework,the segregated nano phases exist in a quantum well form,possessing much higher carrier localization and second-order radiative recombination *** the help of internal stress modulation,these advantages can be significantly enhanced and finally contribute to high luminescence performances in visible-red *** work provides more potential opportunities for 2D layered perovskite materials in the future optoelectronic applications.

关键词： two-dimensional perovskite internal stress thiocyanate anion phase segregation luminescence

Intrinsic effects of precursor functional groups on the Na storage performance in carbon anodes

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Nano Research 2023年第11期16卷 12579-12586页

作者： Xiaohan Tang Fei Xie Yaxiang Lu Zhao Chen Xiangfei Li Hong Li Xuejie Huang Liquan Chen Yuanjiang Pan Yong-Sheng Hu Department of Chemistry Zhejiang UniversityHangzhou 310027China 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 huairou division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Yangtze River Delta Physics Research Center Co. Ltd.Liyang 213300China College of Materials Science and Optoelectronic Technology University of Chinese Academy of SciencesBeijing 100049China

The oxygen-containing functional groups in disordered carbon anodes have been widely reported to influence the Na storage ***,the effect of original oxygen-containing groups in the precursors on the final structures and electrochemical performance is rarely ***,we used the anthraquinone derivatives with different oxygen-containing functional groups as precursors to make the disordered carbon anodes for Na-ion batteries(NIBs).Through comprehensive structural and electrochemical analyses,we found that the different types of functional groups in carbon precursors directly affect the cross-linking process during *** original precursors containing enough inter-chain oxygen or oxygen-containing functional groups with unsaturated bonds unattached to the ring are beneficial for the oxygen atoms to remain or cross-link in structure to result in more C–O–C group,forming nanovoids and disordered structure,which then determine the high performance of the carbon anodes in *** work highlights the importance of the type/content of functional groups in precursor and provides guidance for the future design of carbon anodes in NIBs from the perspective of precursor selection.

关键词： disordered carbon precursor oxygen-contained functional group Na-ion batteries