间歇性或间歇性:阴离体大小对纳西康材料中迁移机制的影响
Judith Schuett1,2, Johanna Schillings1, Steffen Neitzel-Grieshammer3
1Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany.
Physical chemistry chemical physics : PCCP
|January 2, 2024
概括
超离子导体 (NaSICONs) 是电池的有希望的固体电解质. 这项研究揭示了结构因素和成分如何影响NaSICON中的离子 (Na+) 流动性,这对于优化电池性能至关重要.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 电化学 电化学 电化学
背景情况:
- 超离子导体 (NaSICON) 是所有固态电池的重要固体电解质,具有高离子导电性.
- 纳西康的灵活框架允许有价离子合并,影响离子 (Na+) 运输.
- 由于相互竞争的结构和石化学因素,Na+流动性和NaSICON成分之间的直接相关性是复杂的.
研究的目的:
- 系统地研究NaSICON中的Na+离子运输在各种组成 (Na1+xM2SiP3-xO12) 中.
- 独立分析结构因素 (M4+) 和替代水平 (x) 对Na+流动性的影响.
- 阐明在 NaSICONs 中控制 Na+ 运输的迁移机制和能源景观.
主要方法:
- 密度函数理论 (DFT) 的计算用于模拟Na+离子迁移.
- 对间歇性和间歇性类型的迁移路径的分析.
- 研究转稳过渡状态对迁移能量的影响.
主要成果:
- +离子迁移机制和能量受到转移稳定的过渡状态的显著影响.
- 这些过渡状态的稳定性取决于Na+离子的排列,M4+离子大小和替代水平 (x).
- 建立了对结构和组成变化如何影响Na+流动性的清晰理解.
结论:
- 这项研究加深了对NaSICONs中Na+离子迁移的基本理解.
- 这些发现为纳西康材料的微观行为提供了关键的见解.
- 该研究为设计和优化用于先进电池的基于NaSICON的固体电解质提供了指导.
相关概念视频
03:10Ionic Radii
27.8K
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...
27.8K
02:42Ionic Crystal Structures
14.4K
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...
14.4K
01:32Cytoskeletal Coordination in Cell Migration
4.8K
A migrating cell changes its shape during the cyclic events of attachment and detachment from the substratum and repositions the cell organelles correspondingly. These complex events are orchestrated by the dynamic cytoskeletal network comprising actin filaments, intermediate filaments, and microtubules. Cytoskeletal crosstalk — the direct and indirect communication between the different components — is crucial for this coordination. Direct communication involves various linker...
4.8K
02:54Molecular and Ionic Solids
17.1K
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...
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...
17.1K
01:08Size-Exclusion Chromatography
599
In size-exclusion chromatography (SEC), also known as molecular-exclusion or gel-permeation chromatography, molecules are separated based on their sizes. This technique is important for separating large molecules such as polymers and biomolecules. The two classes of micron-sized stationary phases encountered in SEC are silica particles and cross-linked polymer resin beads. Both materials are porous, but their pore sizes vary significantly.
Silica particles offer advantages such as rigidity,...
Silica particles offer advantages such as rigidity,...
599
02:54Trends in Lattice Energy: Ion Size and Charge
23.9K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
23.9K