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Compression of Battery X-Ray Tomography Data with Machine Learning

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Chinese Physics Letters 2024年第9期41卷 153-158页

作者： Zipei Yan Qiyu Wang xiqian yu Jizhou Li Michael K.-P.Ng Department of Electronic Engineering The Chinese University of Hong KongHong KongChina Beijing National Laboratory for Condensed Matter Physics and Institute of PhysicsChinese Academy of SciencesBeijing 100190China Huairou Division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China CUHK Shenzhen Research Institute Shenzhen 518057China Department of Mathematics Hong Kong Baptist UniversityHong KongChina

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 *** data compression methods struggle to balance reduction ratio and image quality,often failing to preserve critical details for accurate *** study proposes a machine learning-assisted compression method tailored for battery x-ray imaging *** physics-informed representation learning,our approach significantly reduces file sizes without sacrificing meaningful *** validate the method on typical battery materials and different x-ray imaging techniques,demonstrating its effectiveness in preserving structural and chemical *** results show an up-to-95 compression ratio while maintaining high fidelity in the projection and reconstructed *** proposed framework provides a promising solution for managing large-scale battery x-ray imaging datasets,facilitating significant advancements in battery research and development.

关键词： battery Battery details

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

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

High-capacity lithium-rich cathode oxides with multivalent cationic and anionic redox reactions for lithium ion batteries

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Science China Chemistry 2017年第12期60卷 1483-1493页

作者： Enyue Zhao xiqian yu Fangwei Wang Hong Li Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China

Lithium-rich cathode oxides with capability to realize multivalent cationic and anionic redox reactions have attracted much attention as promising candidate electrode materials for high energy density lithium ion batteries because of their ultrahigh specific capacity. However, redox reaction mechanisms, especially for the anionic redox reaction of these materials, are still not very clear. Meanwhile, several pivotal challenges associated with the redox reactions mechanisms, such as structural instability and limited cycle life, hinder the practical applications of these high-capacity lithium-rich cathode oxides. Herein, we review the lithium-rich oxides with various crystal structures. The multivalent cationic/anionic redox reaction mechanisms of several representative high capacity lithium-rich cathode oxides are discussed, attempting to understand the origins of the high lithium storage capacities of these materials. In addition, we provide perspectives for the further development of these lithium-rich cathode oxides based on multivalent cationic and anionic redox reactions, focusing on addressing the fundamental problems and promoting their practical applications.

关键词： lithium ion batteries high capacity lithium-rich cathode oxides multivalent cationic redox reaction anionic redox reaction

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

Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries

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Nano Research 2015年第1期8卷 117-128页

作者： Ya You xiqian yu Yaxia Yin Kyung-Wan Nam yu-Guo Guo CAS Key Laboratory of Molecular Nanostructure and Nanotechnology and Beijing National Laboratory for Molecular Sciences Institute of Chemistry Chinese Academy of Sciences (CAS) Beijing 100190 Chino Chemistry Department Brookhaven National Laboratory Upton New York 11973 USA Department of Energy and Materials Engineering Dongguk University Seoul 100-715 Republic of Korea

Owing to the worldwide abundance and low-cost of Na, room-temperature Na-ion batteries are emerging as attractive energy storage systems for large- scale grids. Increasing the Na content in cathode materials is one of the effective ways to achieve high energy density. Prussian blue and its analogues （PBAs） are promising Na-rich cathode materials since they can theoretically store two Na＋ ions per formula unit. However, increasing the Na content in PBAs cathode materials remains a major challenge. Here we show that sodium iron hexacyanoferrate with high Na content can be obtained by simply controlling the reducing agent and reaction atmosphere during synthesis. The Na content can reach as high as 1.63 per formula, which is the highest value for sodium iron hexacyanoferrate. This Na-rich sodium iron hexacyanoferrate demonstrates a high specific capacity of 150 mAh·g^-1 and remarkable cycling performance with 90% capacity retention after 200 cycles. Furthermore, the Na intercalation/ de-intercalation mechanism has been systematically studied by in situ Raman spectroscopy, X-ray diffraction and X-ray absorption spectroscopy analysis for the first time. The Na-rich sodium iron hexacyanoferrate can function as a plenteous Na reservoir and has great potential as a cathode material for practical Na-ion batteries.

关键词： sodium iron hexacyanoferrate Na-rich cathode sodium-ion batteries Prussian blue analogues

Controlling Li deposition below the interface

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eScience 2022年第1期2卷 47-78页

作者： Wenzhuo Cao Quan Li xiqian yu Hong Li Beijing Advanced Innovation Center for Materials Genome Engineering Institute of PhysicsChinese Academy of SciencesBeijing100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing100049China Yangtze River Delta Physics Research Center Co.Ltd Liyang213300China

The desire for high-energy-density batteries calls for the revival of the Li metal ***,its application is hindered by enormous challenges associated with Li deposition/desolvation behaviors,such as side reactions,volume change,and dendrite *** overcome these challenges,Li deposition must be controlled to remain below the ***,to enable longer cycle life,Li deposition should be constrained below the solid electrolyte interphase(SEI).To achieve these goals,it is critical to have a deep theoretical understanding and corresponding *** paper examines Li plating/stripping in terms of behaviors,mechanisms,and influencing factors,and it proposes general strategies to control Li *** design strategies for the electrode,electrolyte,and their interface are *** dimensional(3D)anodes are recommended to store most of the Li deposited below the surface of the *** interface engineering can reduce the risk of Li deposition outside of the 3D anode,while electrolyte engineering favors Li transport,regulates Li deposition,and suppresses dendrites,serving as the final barrier to uncontrolled Li *** paper reviews systemic theories and solutions to control Li deposition below the interface,paving the way for a promising route to build safer lithium metal batteries.

关键词： Li deposition Lithium metal anode Interface Dendrite Solid-state electrolyte

Tailoring Defects in Hard Carbon Anode towards Enhanced Na Storage Performance

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Energy Material Advances 2022年第1期2022卷 262-272页

作者： Ruiqi Dong Feng Wu Ying Bai Qinghao Li xiqian yu yu Li Qiao Ni Chuan Wu Beijing Key Laboratory of Environmental Science and Engineering School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academic of ScienceBeijing 100190China

Hard carbon(HC)anodes show conspicuously commercialized potential for sodium-ion batteries(SIBs)due to their costeffectiveness and satisfactory ***,the development of hard carbon anodes in SIBs is still hindered by low initial Coulombic efficiency(ICE)and insufficient cyclic stability,which are induced by inappropriate defects in the ***,we introduce a simple but effective method to tailor the defects in HC by the chemically preadsorbed K^(+).The soft Xray absorption spectroscopy at the C K-edges reveals that K^(+)can anchor on the hard carbon via C-O-K bonds,occupying the irreversible reactive sites of Na^(+).Therefore,the irreversible capacity caused by some C-O bonds can be ***,the preadsorbed K^(+)can induce the rearrangement of carbon layers and lead to a high graphitization structure with fewer defects and large interlayer spacing,which not only improves the structural stability and electrical conductivity of the HC anode but also facilitates fast Na^(+)***,the as-obtained optimized anode demonstrates a higher ICE with better cyclic stability and superior rate capacities compared with the anode without preadsorbed K^(+).This work indicates that K^(+)preadsorbed into hard carbon is a practicable alternative to enhance the Na storage performances of HC anodes for SIBs.

关键词： irreversible stability anode