材料科学
锂(药物)
阳极
兴奋剂
电化学动力学
离子
动力学
电化学
电导率
结构精修
扩散
电极
分析化学(期刊)
晶体结构
物理化学
光电子学
结晶学
化学
热力学
物理
内分泌学
医学
量子力学
有机化学
色谱法
作者
Yueni Mei,Yuyu Li,Fuyun Li,Yaqian Li,Yingjun Jiang,Xiwei Lan,Songtao Guo,Xianluo Hu
标识
DOI:10.1016/j.jmst.2020.05.012
摘要
Li2TiSiO5 receives much interest recently in lithium-ion battery anodes because of its attractive Li-insertion/extraction potential at 0.28 V (vs. Li+/Li), which bridges the potential gap between graphite and Li4Ti5O12. However, Li2TiSiO5 suffers from the low intrinsic electronic conductivity and sluggish Li-ion transfer kinetics. In this work, we report lithium-ion insertion kinetics of Li2TiSiO5 by Na doping, achieving high-rate capability. Rietveld refinement of X-ray diffraction results reveals that Na doping can enlarge the space of Li slabs, thus reducing the Li-ion transfer barrier and enhancing the Li-ion diffusion kinetics. According to first-principles calculations, Na doping can tune the band structure of Li2TiSiO5 from indirect to direct band, leading to improved electronic conductivity and electrochemical performance. In particular, the Na-doped Li2TiSiO5 (Li1.95Na0.05TiSiO5) electrode exhibits outstanding rate capability with a high capacity of 101 mA h g−1 at 5 A g−1 and superior cyclability with a reversible capacity of 137 mA h g−1 under 0.5 A g−1 over 150 cycles.
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