Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu~(2+)-Doped TiNb_2O_7 Microspheres during Li~+ Insertion

Chengfu Yang; Dongwei Ma; Jing YangMaykel ManawanTing ZhaoYuanyuan FengJiahui LiZhongzhu LiuYong-Wei ZhangRobert B. Von DreeleBrian H. TobyCarlos Ponce de Leon AlbarranJia Hong Pan

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Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu~(2+)-Doped TiNb_2O_7 Microspheres during Li~+ Insertion

机译：Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu~(2+)-Doped TiNb_2O_7 Microspheres during Li~+ Insertion

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TiNb_2O_7 represents a promising anode material for lithium-ion batteries(LIBs), but its practical applications are currently hampered by the nonnegligiblevolumetric expansion and contraction during the charge/dischargeprocess and the sluggish ion/electron kinetics. A combination technique isreported by systematically optimizing the porous and spherical morphology,crystal structure, and surface decoration of mesoporous Cu~(2+)-doped TiNb_2O_7microspheres to enhance the electrochemical Li+ storage performance andstability simultaneously. The Cu~(2+) dopants preferentially replace Ti4+ in crystallattices, which decreases the Li~+ diffusion barrier and increases the electronicconductivity, as confirmed by density functional theory (DFT) calculation anddemonstrated by diverse electrochemical characterizations. The successfulCu~(2+) doping significantly reduces the lattice expansion coefficient from 7.26to 4.61 after Li~+ insertion along the b-axis of TiNb_2O_7, as visualized fromin situ and ex situ XRD analysis. The optimal 5 Cu~(2+)-doped TiNb_2O_7 withsurface coating of N-doped carbon exhibits significantly enhanced specificcapacity and rate and cyclic performances in both half- and full-cell configurations,demonstrating an excellent electrochemical behavior for fast-chargingLIB applications.

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来源
《Advanced functional materials》 |2023年第15期|2212854.1-2212854.12|共12页
作者
Chengfu Yang; Dongwei Ma; Jing YangMaykel ManawanTing ZhaoYuanyuan FengJiahui LiZhongzhu LiuYong-Wei ZhangRobert B. Von DreeleBrian H. TobyCarlos Ponce de Leon AlbarranJia Hong Pan;
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College of Environmental Science and EngineeringNorth China Electric Power UniversityBeijing 102206, China;

Institute of High Performance ComputingAgency for Science, Technology and Research (A*STAR)1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore;

Fakultas Teknologi PertahananUniversitas Pertahanan IndonesiaJawa Barat 16810, IndonesiaNational Engineering Laboratory for VOCs pollution Control Material &TechnologyResearch Center for Environmental Material and PollutionControl TechnologyUniversity of Chinese Academy of SciencesBeijing 101408, ChinaNiobium Product DepartmentCITIC Metal Co., Ltd6 Xinyuan South Road, Chaoyang District, Beijing 100004, ChinaAdvanced Photon SourceArgonne National Laboratory9700 South Cass Avenue, Argonne, IL 60439, USAFaculty of Engineering and Physical SciencesUniversity of SouthamptonHighfield, Southampton SO17 1BJ, UKCollege of Environmental Science and EngineeringNorth China Electric Power UniversityBeijing 102206, China, Department of Chemistry and Centre for Processable ElectronicsImperial College LondonLondon W12 0BZ, UK;

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正文语种英语
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crystal structure expansion; electrochemical impedance spectroscopy; lithium-ion batteries; microwave-assisted hydrothermal process; N-doped carbon coating; TiNb_2O_7;

Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu~(2+)-Doped TiNb_2O_7 Microspheres during Li~+ Insertion

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