Electrochemical performance of Zr-doped Li3V2(PO4)3/C composite cathode materials for lithium ion batteries
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- 作者：Jing Xu ; Gang Chen ; Hongjie Zhang ; Wei Zheng ; Yan Li
- 关键词：Lithium ion batteries ; Lithium vanadium phosphate ; Cathode materials ; Density functional theory
- 刊名：Journal of Applied Electrochemistry
- 出版年：2015
- 出版时间：February 2015
- 年：2015
- 卷：45
- 期：2
- 页码：123-130
- 全文大小：2,114 KB
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Gang Chen (2)
Hongjie Zhang (2)
Wei Zheng (2)
Yan Li (3)
1. Department of Materials and Chemical Engineering, Heilongjiang Institute of Technology, Harbin, 150050, China
2. Department of Applied Chemistry, Harbin Institute of Technology, Harbin, 150001, China
3. Institute of Advanced Technology, Heilongjiang Academy of Science, Harbin, 150000, China - 刊物类别：Chemistry and Materials Science
- 刊物主题：Chemistry
Electrochemistry
Physical Chemistry
Industrial Chemistry and Chemical Engineering - 出版者：Springer Netherlands
- ISSN：1572-8838
文摘
Zr-doped Li3V2-x/3Zr x (PO4)3/C (x?=?0, 0.05, 0.1, 0.15 or 0.2) composite cathode materials for lithium ion batteries had been prepared by a sol-gel method and characterized by X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, four-point probe measurements and electrochemical analyses. The cell volumes of the Zr-doped samples were larger than that of Li3V2(PO4)3, and Zr had an oxidation number of +4 in Zr-doped Li3V2-x/3Zr x (PO4)3. The charge-transfer resistance of Li3V2(PO4)3/C was reduced and the reversibility was enhanced after Zr doping. All Zr-doped samples exhibited better electrochemical performance than pristine sample, and Li3V1.87Zr0.1(PO4)3/C composite displayed the highest capacity and the best cycle performance. The improved electrochemical performance mechanism for Zr-doped samples was discussed with respect to electronic structures using first-principle calculations. Zr doping did not significantly change the crystal structure of Li3V2(PO4)3, however, slight alterations in the lattice parameters and unit cell volume were observed. Li3V2(PO4)3 was affected by Zr doping at the V site with a narrower band gap as a result of the holes generated by activation of electrons to empty Zr states, leading to enhanced electronic conductivity of doped samples.