Structural stability and Li-ion transport property of LiFePO4 under high-pressure
Dong, HN; Guo, H; He, Y; Gao, J; Han, WZ; Lu, X; Yan, S; Yang, K; Li, HP; Chen, DF; Li, H
2017
发表期刊SOLID STATE IONICS
ISSN0167-2738
卷号301页码:133-137
文章类型期刊论文
摘要LiFePO4 with olivine structure is an intensively investigated cathode material for lithium ion batteries. However, the relationship between lattice parameters and Li-ion transport property has not been concerned previously. In this work, pristine LiFePO4 nanoparticle was synthesized by hydrothermal method. In-situ high-pressure synchrotron X-ray diffraction (XRD), in-situ Raman spectroscopy and first-principles calculations were used to characterize the structure evolution of LiFePO4 from ambient pressure to 21.5 GPa and obtain its equation of state and bulk modulus. Unlike previously reported phase transition of LiFePO4 from olivine structure to beta' phase (symmetry group Cmcm) under high pressure and high temperature, we did not observe any phase transition at pressure below 21.5 GPa. Here, the lattice parameters show an anisotropic decreasing as pressure increases, and Li-O bonds are much more compressible than Fe-O and P-O bonds during compression. The Li+ migration barrier energy of LiFePO4 under pressure was further investigated by first-principles calculations. The barrier energy along [010] and [001] directions increases with applied pressure, and the one-dimensional ionic diffusion property of LiFePO4 remains at the pressure below 28.2 GPa. These findings will enhance our understanding on this important cathode material and provide hints on materials synthesis and modification by high-pressure technology. (C) 2017 Elsevier B.V. All rights reserved.
关键词Lifepo4 High-pressure In-situ Xrd In-situ Raman Spectroscopy Li-ion Transport Property
收录类别SCI
语种英语
WOS记录号WOS:000395840300019
引用统计
被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/27454
专题中科院上海应用物理研究所2011-2018年
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Dong, HN,Guo, H,He, Y,et al. Structural stability and Li-ion transport property of LiFePO4 under high-pressure[J]. SOLID STATE IONICS,2017,301:133-137.
APA Dong, HN.,Guo, H.,He, Y.,Gao, J.,Han, WZ.,...&Li, H.(2017).Structural stability and Li-ion transport property of LiFePO4 under high-pressure.SOLID STATE IONICS,301,133-137.
MLA Dong, HN,et al."Structural stability and Li-ion transport property of LiFePO4 under high-pressure".SOLID STATE IONICS 301(2017):133-137.
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