石墨烯/C2N侧向异构结构作为离子电池的有希望的阳极材料
Yawen Chen1, Qianru Wang1, Quan Zhang1
1Ministry of Education Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, China. yzhang520@mail.xjtu.edu.cn.
Physical chemistry chemical physics : PCCP
|September 27, 2023
概括
石墨烯/C2N侧向异构结构显示出作为离子电池的阳极材料的前景. 这些二维材料提供了出色的稳定性,导电性和改进的容量.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 计算化学的计算化学
背景情况:
- 为离子电池阳极探索二维 (2D) 异构结构.
- 石墨烯和C2N单层对储能具有有利的性能.
研究的目的:
- 研究2D石墨烯/C2N横向异构结构中的结构稳定性,电子特性和离子扩散.
- 确定石墨烯成分比对异构结构性质的影响.
主要方法:
- 使用了第一原则计算.
- 分析了结构稳定性,电子带间隙和离子扩散障碍.
主要成果:
- 石墨烯/C2N异构结构表现出良好的动态稳定性和电子导电性.
- 石墨烯组分比调整了带隙,而C2N提高了容量.
- 观察到低扩散能障碍 (0.257-0.273 eV) 和工作电压 (0.758 V).
结论:
- 石墨烯/C2N侧向异构结构结合了石墨烯和C2N单层的优点.
- 这些二维材料显示出作为离子电池的先进阳极材料的巨大潜力.
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