硅烯
阳极
材料科学
锂(药物)
离子
碱金属
饱和(图论)
化学物理
纳米技术
电极
无机化学
石墨烯
化学
物理化学
有机化学
内分泌学
组合数学
医学
数学
作者
Ge Wu,Shuli Gao,Changcheng Chen,Yue Kuai,Long Li,Jinbo Hao,Baonan Jia,Liyuan Wu,Pengfei Lu
标识
DOI:10.1016/j.cplett.2021.139097
摘要
In recent years, various high-performance electrode materials of alkali metal ion batteries have emerged one after another. Here, for the first time, we used first-principles to explore the possibility of using T-silicene as an anode material in lithium-ion batteries (LIBs) and sodium-ion batteries (NIBs). Firstly, we identified T-silicene is thermally stable at 300 K, then calculated and compared the interaction of Li/Na ions on T-silicene, also gradually increased the ions concentration until the full saturation of the surfaces is achieved. Our research demonstrates that not only the T-silicene lattice change of the configuration is 2.59%/1.21% for Li/Na, which are much lower than other 2D silicene, but also average open-circuit voltage is low as 0.173/0.192 V for Li/Na. Additionally, T-silicene has suitable storage capacity, good electric conductivity, and a low diffusion barrier. As has been stated, our results contribute to the potential application of T-silicene for LIBs/NIBs.
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