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相关概念视频

Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

41.6K
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. 
41.6K
Ionic Crystal Structures02:42

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...
14.3K
Ionic Bonds00:42

Ionic Bonds

118.4K
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...
118.4K
Intermolecular Forces03:13

Intermolecular Forces

58.3K
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...
58.3K
Aqueous Solutions and Heats of Hydration02:42

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...
14.7K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

42.6K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
42.6K

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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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无机固体电解质相间工程理性 灵感来自六酸分解机制

Dacheng Kuai1,2, Perla B Balbuena1,2,3

  • 1Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843, United States.

The journal of physical chemistry. C, Nanomaterials and interfaces
|February 9, 2024
PubMed
概括

了解六酸 (LiPF6) 降解是改善金属电池的关键. 我们的研究显示,化和电子转移触发LiPF6分解,指导更好的电解质设计.

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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
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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:

  • 固体电解质间相 (SEI) 工程对于提高金属电池循环性能至关重要.
  • 六酸 (LiPF6) 是一种广泛使用的电解质盐,但其在金属阳极附近的降解机制需要更深入的了解.
  • 有效的SEI修改需要对电解质分解途径的机械洞察力.

研究的目的:

  • 在代表性电解质系统中阐明LiPF6降解的可信反应途径.
  • 确定控制金属阳极接口LiPF6分解的关键触发因素和有影响的参数.
  • 为合理的SEI工程和电解质调提供定量热力学和电子结构信息.

主要方法:

  • 使用初始分子动力学 (AIMD) 模拟来研究界面反应.
  • 对LiPF6分解的溶解效应进行热力学评估.
  • 分析形态和电荷分布对界面解离的影响.

主要成果:

  • 化和电子转移被确定为LiPF6降解的主要触发因素.
  • 的形态和电荷分布显著影响了界面解离路径.
  • 较高的电解质介电常数和增加的化程度被发现促进LiPF6分解.

结论:

  • 该研究为金属电池相关的LiPF6降解途径提供了关键的机械洞察力.
  • 这些发现强调了电解质特性 (介电常数,化程度) 和阳极特性 (形态学,电荷分布) 在SEI形成中的重要性.
  • 这项工作促进了合理的SEI工程和电解质优化,以提高金属阳极性能.