混合超级电容器NiMoO4微球的理论特定容量和金属离子扩散路径
Digambar S Sawant1,2, Sandesh V Gaikwad2, Akash V Fulari3
1Department of Physics, The Institute of Science, Dr. Homi Bhabha State University, Madam Cama Road, Mumbai, 400032, India.
Small (Weinheim an der Bergstrasse, Germany)
|February 24, 2025
概括
和氧化物 (NiMoO4) 显示出优异的电化学性能和稳定性,用于储能. 密度函数理论 (DFT) 的计算证实了它对先进混合超级电容器的潜力.
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:
- 过渡金属酸盐是能量储存的关键材料.
- 了解结构-属性关系对于优化性能至关重要.
研究的目的:
- 调查NiMoO4.4的结构和电化学性能之间的相关性.
- 探索NiMoO4作为混合超级电容器的电极材料的潜力.
主要方法:
- 在泡上热合成NiMoO4微球.
- 电化学特性 (特定容量,循环稳定性,库伦比效率).
- 密度函数理论 (DFT) 对离子扩散和理论容量的计算.
主要成果:
- NiMoO4 微球在 1 A g-1 时表现出 168.9 mAh g-1 的特定容量.
- 卓越的稳定性,在7000个周期内保持80%的容量,并达到98.3%的库伦比效率.
- DFT计算与实验结果一致,预测理论容量为203 mAh g-1.
结论:
- NiMoO4显示出作为混合超级电容器的电池类型电极的巨大潜力.
- 通过DFT了解离子扩散,有助于设计高性能储能材料.
- 一个NiMoO4//AC混合超级电容器在421W kg-1时实现了56.3Wh kg-1,具有特殊的长期稳定性.
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