用高性能离子电池的分子间相互作用重新构成的电解质设计图
Renzhi Huang1,2, Xin Guo1,3, Binbin Chen1
1Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
JACS Au
|May 31, 2024
概括
这项研究引入了一种基于分子间相互作用的新型电解质设计图,可以更好地预测电池性能. 它有助于开发用于下一代电池的先进,更安全的电解质.
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:
- 先进的电解质对于提高电池性能至关重要.
- 目前的电解质设计标准缺乏明确性,阻碍了进展.
研究的目的:
- 开发一种基于分子间相互作用的新型电解质设计图.
- 建立电解质组件和电化学可逆性之间的相关性.
- 为了能够预测和快速选电解质.
主要方法:
- 系统的核磁共振 (NMR) 和里埃变换红外光谱 (FTIR).
- 分子动力学 (MD) 模拟.分子动力学 (MD) 模拟.
- 机器学习 (ML) 辅助的分类.
主要成果:
- 在电解质成分和电化学可逆性之间建立了半定量相关性.
- 提出了基于分子间相互作用的盐等效增量概念.
- 已证明高可逆性和不可燃性酸盐基电解质用于石墨
结论:
- 建议的电解质设计图,以分子间相互作用为指导,为未来的电解质开发提供了基础.
- 这种方法可以通过机器学习快速选和预测电解质.
- 为高性能电池开发了先进的,更安全的电解质.
更多相关视频
11:04Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
Published on: December 20, 2016
13.0K
10:03Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
Published on: November 11, 2013
25.5K
相关概念视频
Ionic Bonds
118.3K
Overview
When atoms gain or lose electrons to achieve a more stable electron configuration they form ions. Ionic bonds are electrostatic attractions between ions with opposite charges. Ionic compounds are rigid and brittle when solid and may dissociate into their constituent ions in water. Covalent compounds, by contrast, remain intact unless a chemical reaction breaks them.
Opposing Charges Hold Ions Together in Ionic Compounds
Ionic bonds are reversible electrostatic interactions between ions...
When atoms gain or lose electrons to achieve a more stable electron configuration they form ions. Ionic bonds are electrostatic attractions between ions with opposite charges. Ionic compounds are rigid and brittle when solid and may dissociate into their constituent ions in water. Covalent compounds, by contrast, remain intact unless a chemical reaction breaks them.
Opposing Charges Hold Ions Together in Ionic Compounds
Ionic bonds are reversible electrostatic interactions between ions...
118.3K
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
Electrolysis
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
Electrolyte and Nonelectrolyte Solutions
62.8K
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.
62.8K
Aqueous Solutions and Heats of Hydration
14.7K
Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
14.7K
Intermolecular Forces
58.2K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
58.2K
