Theoretical prediction of germanium selenium nanosheet as a potential anode material for high-performance alkali-metal based battery
发布时间：2025-04-30
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- 发布时间：
- 2025-04-30
- 论文名称：
- Theoretical prediction of germanium selenium nanosheet as a potential anode material for high-performance alkali-metal based battery
- 发表刊物：
- Journal of Solid State Chemistry
- 摘要：
- Alkali-metal (AM) ion batteries have been attracting great attention due to the high specific capacity, fast
charging rate, and good reversibility. In this work, the adsorption and diffusion of Li, Na, and K atoms on a two-
dimensional (2D) group-IV monochalcogenide, germanium selenium nanosheet (GeSeNS), have been systemati-
cally investigated by first-principles calculations. The considered AM atoms could form strong binding and exist in
stable configuration with GeSeNS. A semiconducting to metallic transition induces an excellent electrical con-
ductivity after AM intercalation on GeSeNS, that is essential for an optimal anode material. Our results show that
the low energy barriers of AM atoms diffusion along zigzag direction are 0.329 (Li), 0.175 (Na) and 0.132 (K)eV,
respectively, which are lower than values of the commercial graphite anode material and corresponding to ul-
trafast charge/discharge capability. The average voltages are about 1.82, 1.45 and 1.28 V for the Li x GeSe,
Na x GeSe and K x GeSe systems, respectively. Hence, our results suggest that GeSeNS could be a potential electrode
material for application in low-cost AM ion batteries with a high rate capability and high charging voltage, thus
encouraging further experimental work.
- 合写作者：
- W.X. Zhang , W.H. He, T.T. Li, J.W. Zhao, C. He*
- 卷号：
- 277 (2019) 17–24
- 页面范围：
- 277 (2019) 17–24
- 是否译文：
- 否
- 发表时间：
- 2019-05-22