揭示Nb或V兴奋剂对Na中阳极性能的影响
Suk-Gyong Hwang1, Chung-Hyok Kim1, Song-Hyok Choe1
1Computational Materials Design, Faculty of Materials Science, Kim Il Sung University PO Box 76 Pyongyang Democratic People's Republic of Korea cj.yu@ryongnamsan.edu.kp.
RSC advances
|June 7, 2023
概括
(Nb) 或 (V) 在酸 (Na2Ti3O7) 阳极中用于离子电池的 (Nb) 或 (V) doping 提高了导电性. 虽然稍微降低容量,但兴奋剂增强了结构稳定性,有助于先进的电极材料.
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
- 计算化学计算化学
背景情况:
- 酸 (Na2Ti3O7) 是离子电池 (SIB) 的一个有前途的阳极材料.
- 用 (Nb) 或 (V) 等元素进行兴奋剂是为了提高电极性能而被探索的.
研究的目的:
- 研究Nb-和V-化Na2Ti3O7.7的结构,电子和电化学特性.
- 了解Nb和V兴奋剂对SIBs阳极性能的影响.
主要方法:
- 使用超级电池进行系统的第一原则计算.
- 具有不同含量的中间阶段的结构优化.
- 电子和离子导电性的分析.
主要成果:
- Nb兴奋剂扩大细胞体积;V兴奋剂由于离子半径差异而缩小.
- 在插入过程中,兴奋剂稍微增加了相对体积膨胀率 (<3%).
- 电极电位稍微增加,特定容量减少,但电子和离子导电性得到改善.
结论:
- Nb 和 V 兴奋剂提供了一种途径来增强 Na2Ti3O7 阳极的导电性.
- 兴奋剂保持了结构完整性,显示了先进SIB电极材料的潜力.
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