优化电池电压依赖于碳纳米管电极的尺寸在Na-离子和K-离子电池中
Xia Liu1, Jiacheng Gong1, Yizhi Jiang1
1Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Frontiers Science Center of Molecule Intelligent Syntheses, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China. jryang@chem.ecnu.edu.cn.
Physical chemistry chemical physics : PCCP
|April 5, 2024
概括
碳纳米管作为离子电池 (NIB) 的阳极材料具有前景,但不是离子电池 (KIB). 较大的CNT直径增加了Na-ion存储的电压,这表明NIB的可行性.
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:
- 离子电池 (NIB) 和离子电池 (KIB) 作为离子电池的替代品正在探索中.
- 较大的Na+和K+离子离子半径给阳极材料设计带来了挑战.
- 碳纳米材料,特别是碳纳米管 (CNTs),正在作为潜在的阳极材料进行研究.
研究的目的:
- 为了研究用于Na-ion和K-ion存储的CNT的电池电压.
- 为了确定CNT大小和离子储存性能之间的关系.
- 评估CNT作为NIB和KIB的阳极材料的适用性.
主要方法:
- 使用密度函数理论 (DFT) 的计算.
- 分析了Na+@CNT和K+@CNT系统的吸附能量概况.
- 使用能量分解分析来验证静电相互作用.
主要成果:
- 吸附能量随着Na+和K+离子的CNT直径增加而减少.
- 由于更强的静电相互作用,细胞电压随着CNT直径的增加而增加.
- 在 (10,10) CNT 上的 Na-离子吸附产生 1.29 V,适用于 NIB; K-离子吸附产生 0.59 V,不适用于 KIB.
结论:
- CNTs是NIB的可行的阳极材料,电压性能取决于直径.
- 由于低电压,CNT不适合KIB.
- 结果为电池应用中CNT结构性质提供了洞察力.
相关概念视频
02:59The Nernst Equation
40.8K
Nonstandard Reaction Conditions
The interconnection between standard cell potentials and various thermodynamic parameters such as the standard free energy change ΔG° and equilibrium constant K has been previously explored. For example, a redox reaction involving zinc(II) and tin(II) ions at 1 M concentration with Eºcell = +0.291 V and ΔG° = −56.2 kJ is spontaneous.
The interconnection between standard cell potentials and various thermodynamic parameters such as the standard free energy change ΔG° and equilibrium constant K has been previously explored. For example, a redox reaction involving zinc(II) and tin(II) ions at 1 M concentration with Eºcell = +0.291 V and ΔG° = −56.2 kJ is spontaneous.
40.8K
03:12Batteries and Fuel Cells
27.3K
A battery is a galvanic cell that is used as a source of electrical power for specific applications. Modern batteries exist in a multitude of forms to accommodate various applications, from tiny button batteries such as those that power wristwatches to the very large batteries used to supply backup energy to municipal power grids. Some batteries are designed for single-use applications and cannot be recharged (primary cells), while others are based on conveniently reversible cell reactions that...
27.3K
03:00Electrolysis
26.3K
In a galvanic cell, the electrical work is done by a redox system on its surroundings as electrons produced by the spontaneous redox reactions are transferred through an external circuit. Alternatively, an external circuit does work on a redox system by imposing a voltage sufficient to drive an otherwise nonspontaneous reaction in a process known as electrolysis. For instance, recharging a battery involves the use of an external power source to drive the spontaneous (discharge) cell reaction in...
26.3K