作为可充电Mg电池的有希望的阴极材料的二维VO2/VS2异构结构:一项第一原理研究
Lingxiao Luo1,2, Shuangshuang Tan1,2, Zhipeng Gao1,2
1College of Materials Science and Engineering, Chongqing University, Chongqing 400044, P. R. China. tss@cqu.edu.cn.
Physical chemistry chemical physics : PCCP
|September 25, 2023
概括
一个新的2D VO2/VS2异构结构显示了可充电电池 (RMB) 的前景. 这种材料提供了更好的放电电压,容量和快速的Mg2+扩散,提高了先进的能量存储的能量密度.
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:
- 可充电电池 (RMB) 是一个有前途的储能系统.
- 发展受阻于缺少快速Mg2+扩散和高能量密度的阴极材料.
研究的目的:
- 提出并研究2D VO2/VS2异构结构作为人民币的阴极材料.
- 为了增强放电电压,特定容量和Mg2+扩散动力学.
主要方法:
- 使用了第一原则计算.
- 在VO2/VS2.2.中对几何结构,电子特性,Mg2+吸附和扩散行为的系统研究.
主要成果:
- VO2/VS2表现出金属性质和较低的Mg2+扩散屏障 (0.6 eV).
- 排放平台的平均电压增加到1.7V (vs. VS2的1.25V).
- 理论容量增加到301 mA hg-1 (vs. VS2的233 mA hg-1). 这是一个非常好的方法.
- 理论上的能量密度达到了511.7 W h kg-1 (vs. VS2的291.3 W h kg-1).
结论:
- VO2/VS2 异构结构显示了人民币高利率表现的潜力.
- 这种材料在能量密度上明显超过VS2.
- 为设计用于多价离子电池的高能,高速率的2D异构阴极提供了指导.
相关概念视频
Voltaic/Galvanic Cells
57.5K
Spontaneous Chemical Reactions
Spontaneous redox reactions occur abundantly in nature. The chemical reaction occurring in a disposable AA battery powering our remote controls is one such example of a spontaneous redox reaction. Another example is the immersion of coiled copper wire into an aqueous silver nitrate solution. The reaction shows a gradual, visually impressive color change from colorless to bright blue and the formation of a grey precipitate on the copper wire. In this experiment,...
Spontaneous redox reactions occur abundantly in nature. The chemical reaction occurring in a disposable AA battery powering our remote controls is one such example of a spontaneous redox reaction. Another example is the immersion of coiled copper wire into an aqueous silver nitrate solution. The reaction shows a gradual, visually impressive color change from colorless to bright blue and the formation of a grey precipitate on the copper wire. In this experiment,...
57.5K
Batteries and Fuel Cells
27.6K
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...
27.6K


