Molybdenum Disulfide-Coated Lithium Vanadium Fluorophosphate Anode: Experiments and First-Principles Calculations

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• 作者：Zhaomeng Liu ; Dr. Wenjie Peng ; Zhenming Xu ; Dr. Kaimin Shih ; Dr. Jiexi Wang ; Prof. Zhixing Wang ; Dr. Xiaojun Lv ; Prof. Jiangan Chen and Prof. Xinhai Li
• 刊名：ChemSusChem
• 出版年：2016
• 出版时间：August 23, 2016
• 年：2016
• 卷：9
• 期：16
• 页码：2122-2128
• 全文大小：2185K
• ISSN：1864-564X

文摘

To develop a new anode material to meet the increasing demands of lithium-ion battery, MoS₂ is used for the first time to modify the C/LiVPO₄F anode to improve its lithium-storage performance between 3 and 0.01 V. Morphological observations reveal that the MoS₂-modified C/LiVPO₄F particles (M-LVPF) are wrapped by an amorphous carbon as interlayer and layered MoS₂ as external surface. Charge–discharge tests show that M-LVPF delivers a high reversible capacity of 308 mAh g⁻¹ at 50 mA g⁻¹. After 300 cycles at 1.0 A g⁻¹, a capacity retention of 98.7 % is observed. Moreover, it exhibits high rate capability with a specific capacity of 199 mAh g⁻¹ at 1.6 A g⁻¹. Electrochemical impedance spectroscopy tests indicate that the lithium-ion diffusion and charge-exchange reaction at the surface of M-LVPF are greatly enhanced. First-principles calculations for the MoS₂ (001)/C/LiVPO₄F (010) system demonstrate that the absorption of MoS₂ on C/LiVPO₄F is exothermic and spontaneous and that the electron transfer at the MoS₂-absorbed C/LiVPO₄F surface is enhanced.