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相关概念视频

Ion Exchange01:17

Ion Exchange

1.1K
Ion exchange chromatography separates charged molecules from a solution by reversibly exchanging them with mobile, or 'active', ions associated with the oppositely charged stationary phase. This method can be used to separate ions, soften and deionize water, and purify solutions. The polymers comprising the ion-exchange column are high-molecular-weight and chemically stable polymers, crosslinked to be porous and essentially insoluble. They are also functionalized with either acidic or...
1.1K
Dielectric Polarization in a Capacitor01:31

Dielectric Polarization in a Capacitor

5.9K
The presence of a dielectric medium in a capacitor not only changes the voltage and capacitance but also affects the electric field. In general, dielectrics can be of two types: polar and nonpolar. In a polar dielectric, the positive and negative charges in the molecules are separated by a distance and hence have a permanent dipole moment. In contrast, no such charge separation exists in a nonpolar dielectric, however the nonpolar molecules get polarized in the presence of an external electric...
5.9K
Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

711
A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
711
Cationic Chain-Growth Polymerization: Mechanism00:57

Cationic Chain-Growth Polymerization: Mechanism

2.8K
The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
2.8K
Interfacial Electrochemical Methods: Overview01:06

Interfacial Electrochemical Methods: Overview

790
Interfacial electrochemical methods focus on the phenomena occurring at the boundary between an electrode and a solution, as opposed to bulk methods that concentrate on the solution's overall properties. These interfacial methods are classified as either static or dynamic based on the presence of a nonzero current in the electrochemical cell and the consistency of analyte concentrations. Static methods, such as potentiometry, measure the cell's potential without any significant current...
790
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

19.8K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
19.8K

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相关实验视频

Updated: Jan 11, 2026

Application of a Coupling Agent to Improve the Dielectric Properties of Polymer-Based Nanocomposites
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Application of a Coupling Agent to Improve the Dielectric Properties of Polymer-Based Nanocomposites

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在聚合物/陶接口的离子分布平衡.

Melania Kozdra1, Laura Hölzer2, Daniel Brandell1

  • 1Department of Chemistry - Ångström Laboratory, Uppsala University, Box 538, 75121 Uppsala, Sweden.

Physical chemistry chemical physics : PCCP
|November 11, 2025
PubMed
概括

高温模拟显示了复合固体电解质 (CSEs) 中的平衡离子分布. 该方法预测了在较低温度下用于固态电池应用的离子转移障碍.

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:

  • 复合固体电解质 (CSEs) 对固态电池具有前景.
  • 在CSE中离子分布不均,在典型的电池工作温度下对分子动力学 (MD) 模拟构成挑战.
  • 经典MD中的有限时间尺度 (<μs) 阻碍了实现界面离子平衡.

研究的目的:

  • 在高温 (400-700 K) 中使用MD模拟来研究CSE中的平衡离子分布.
  • 评估高温模拟洞察的可转移性到较低,实验相关的温度.
  • 预测固态电池应用的离子转移障碍和跳跃率.

主要方法:

  • 复合固体电解质 (CSEs) 的分子动力学 (MD) 模拟,包括Li$_{7}$La$_{3}$Zr$_{2}$O$_{12}$ (LLZO) 陶和PEO聚合物电解质中的LiTFSI.
  • 在高温下进行的模拟,温度范围从400K到700K.
  • 对界面离子 (Li$^{+}$和TFSI$^{-}$) 分布和自由能量曲线的分析.

主要成果:

  • 无论温度高于600K,平衡界面结构都显示出显著的Li$^{+}$转移到LLZO陶阶段.
  • 在600K以下,Li$^{+}$分布不完全平衡,尽管TFSI$^{-}$分布似乎遵循Li$^{+}$.

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Merging Ion Concentration Polarization between Juxtaposed Ion Exchange Membranes to Block the Propagation of the Polarization Zone
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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

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Merging Ion Concentration Polarization between Juxtaposed Ion Exchange Membranes to Block the Propagation of the Polarization Zone
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Merging Ion Concentration Polarization between Juxtaposed Ion Exchange Membranes to Block the Propagation of the Polarization Zone

Published on: February 23, 2017

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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

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  • 高温模拟可以估计 Li$^{+}$ 的自由能量障碍和在较低温度下跳跃率.
  • 结论:

    • 高温MD模拟对于在CSEs中实现平衡离子分离至关重要.
    • 来自高温模拟的洞察力可以预测离子动态在较低,实验相关的温度.
    • 这种方法通过了解离子运输机制,有助于设计高效的固态电池.