Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu2+‐Doped TiNb2O7 Microspheres during Li+ Insertion
Source abstract
Abstract
Abstract TiNb2O7 represents a promising anode material for lithium‐ion batteries (LIBs), but its practical applications are currently hampered by the non‐negligible volumetric expansion and contraction during the charge/discharge process and the sluggish ion/electron kinetics. A combination technique is reported by systematically optimizing the porous and spherical morphology, crystal structure, and surface decoration of mesoporous Cu2+‐doped TiNb2O7 microspheres to enhance the electrochemical Li+ storage performance and stability simultaneously. The Cu2+ dopants preferentially replace Ti4+ in crystal lattices, which decreases the Li+ diffusion barrier and increases the electronic conductivity, as confirmed by density functional theory (DFT) calculation and demonstrated by diverse electrochemical characterizations. The successful Cu2+ doping significantly reduces the lattice expansion coefficient from 7.26% to 4.61% after Li+ insertion along the b‐axis of TiNb2O7, as visualized from in situ and ex situ XRD analysis. The optimal 5% Cu2+‐doped TiNb2O7 with surface coating of N‐doped carbon exhibits significantly enhanced specific capacity and rate and cyclic performances in both half‐ and full‐cell configurations, demonstrating an excellent electrochemical behavior for fast‐charging LIB applications.
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Research context
OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Semiconductor materials and devices
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
College of Environmental Science and Engineering North China Electric Power University Beijing 102206 China
Institute of High Performance Computing Agency for Science, Technology and Research (A*STAR) 1 Fusionopolis Way, #16‐16 Connexis Singapore 138632 Singapore
Fakultas Teknologi Pertahanan Universitas Pertahanan Indonesia Jawa Barat 16810 Indonesia
National Engineering Laboratory for VOCs pollution Control Material & Technology Research Center for Environmental Material and Pollution Control Technology University of Chinese Academy of Sciences Beijing 101408 China
Niobium Product Department CITIC Metal Co., Ltd 6 Xinyuan South Road Chaoyang District Beijing 100004 China
Advanced Photon Source Argonne National Laboratory 9700 South Cass Avenue Argonne IL 60439 USA
Faculty of Engineering and Physical Sciences University of Southampton Highfield Southampton SO17 1BJ UK
Department of Chemistry and Centre for Processable Electronics Imperial College London London W12 0BZ UK
Funding
National Natural Science Foundation of China
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