化富勒烯作为高离子导电性离子电池的电解质添加剂
Haoyu Pan1, Zhanlin Yang1, Jianhui Chen1
1Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China.
Molecules (Basel, Switzerland)
|July 13, 2024
概括
富勒和化富勒作为离子电池电解质的添加剂具有前景. 具体来说,C60F4,C60F6和2-C60F8增强了LiFSI/DME电解质中的离子流动性.
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
- 计算化学的计算化学
背景情况:
- 高性能电解质对于先进的离子电池至关重要.
- 添加剂提供了一种具有成本效益的方法来提高电解质性能.
研究的目的:
- 评估富勒和化富勒作为 bis ((fluorosulfonyl) imide/1,2-dimethoxymethane (LiFSI/DME) 电解质的添加剂.
- 调查替代对电解质应用中的富勒烯特性的影响.
主要方法:
- 密度函数理论 (DFT) 的计算被用来分析电子结构.
- 用分子动力学 (MD) 模拟来评估离子的移动性和相互作用.
主要成果:
- 各种富勒伦 (C60,C60F2,C60F4,C60F6,1-C60F8,2-C60F8) 的电子结构与电解质添加剂要求相容.
- 替代改变了烯的变形和电子特性.
- 微量C60F4,C60F6和2-C60F8显著提高LiFSI/DME电解质中的Li+流动性.
结论:
- 富勒及其化衍生物是新型电解质添加剂的可行候选物.
- 这项研究为设计高性能离子电池的先进添加剂提供了洞察力.
相关概念视频
Ionic Bonding and Electron Transfer
41.4K
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
41.4K
Electrolyte and Nonelectrolyte Solutions
62.7K
Substances that undergo either a physical or a chemical change in solution to yield ions that can conduct electricity are called electrolytes. If a substance yields ions in solution, that is, if the compound undergoes 100% dissociation, then the substance is a strong electrolyte. Complete dissociation is indicated by a single forward arrow. For example, water-soluble ionic compounds like sodium chloride dissociate into sodium cations and chloride anions in aqueous solution.
62.7K
Electron Affinity
35.4K
The electron affinity (EA) is the energy change for adding an electron to a gaseous atom to form an anion (negative ion).
35.4K
Electrophilic Aromatic Substitution: Fluorination and Iodination of Benzene
5.9K
Bromination and chlorination of aromatic rings by electrophilic aromatic substitution reactions are easily achieved, but fluorination and iodination are difficult to achieve. Fluorine is so reactive that its reaction with benzene is difficult to control, resulting in poor yields of monofluoroaromatic products. To address this, Selectfluor reagent is used as a fluorine source in which a fluorine atom is bonded to a positively charged nitrogen.
5.9K
Ionic Radii
27.7K
Ionic radius is the measure used to describe the size of an ion. A cation always has fewer electrons and the same number of protons as the parent atom; it is smaller than the atom from which it is derived. For example, the covalent radius of an aluminum atom (1s22s22p63s23p1) is 118 pm, whereas the ionic radius of an Al3+ (1s22s22p6) is 68 pm. As electrons are removed from the outer valence shell, the remaining core electrons occupying smaller shells experience a greater effective nuclear...
27.7K
Ionic Crystal Structures
14.3K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.3K


