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- Title
Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu<sup>2+</sup>‐Doped TiNb<sub>2</sub>O<sub>7</sub> Microspheres during Li<sup>+</sup> Insertion.
- Authors
Yang, Chengfu; Ma, Dongwei; Yang, Jing; Manawan, Maykel; Zhao, Ting; Feng, Yuanyuan; Li, Jiahui; Liu, Zhongzhu; Zhang, Yong‐Wei; Von Dreele, Robert B.; Toby, Brian H.; Albarrán, Carlos Ponce de León; Pan, Jia Hong
- 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.
- Subjects
MICROSPHERES; DIFFUSION barriers; DENSITY functional theory; CRYSTAL lattices; CRYSTAL structure; LITHIUM-ion batteries
- Publication
Advanced Functional Materials, 2023, Vol 33, Issue 15, p1
- ISSN
1616-301X
- Publication type
Article
- DOI
10.1002/adfm.202212854