NaGaPO4F - 一个KTiOPO4结构的固体离子导体
Sergey N Marshenya1, Artem D Dembitskiy1, Dmitry S Fedorov2,3
1Center for Energy Science and Technology, Skolkovo Institute of Science and Technology, 3 Nobel Street, 121205 Moscow, Russia. Sergey.Marshenya@skoltech.ru.
Dalton transactions (Cambridge, England : 2003)
|November 10, 2023
概括
我们报告了一种新的离子导体,NaGaPO4F,通过两步方法合成. 这种材料具有3D扩散和热稳定性,使其成为先进的离子导体应用的有希望的候选者.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 储能 储能 储能 储能 储能 储能
背景情况:
- 先进的离子导体对于固态离子电池和燃料电池等技术至关重要.
- KTiOPO4结构家族以其在离子导电性方面的潜力而闻名.
研究的目的:
- 为了合成和描述一种新的离子导电材料,NaGaPO4F.
- 为了研究NaGaPO4F的离子流动性和结构性质.
主要方法:
- 简单的两步合成,涉及水热制剂和离子交换.
- 使用同步龙X射线粉碎衍射和电子衍射断层扫描技术精制晶体结构.
- 通过固态核磁共振 (NMR) 和密度函数理论 (DFT) 的计算来研究离子移动性.
主要成果:
- 第一次合成了NaGaPO4F,并确定了其晶体结构.
- 该材料具有高达450°C的优异热稳定性,细胞体积扩张最小.
- DFT和NMR研究显示,3D扩散具有低迁移障碍 (0.22-0.5 eV) 和~4.25 eV的带隙.
结论:
- NaGaPO4F是一种热稳定的新型离子导体.
- 三维扩散途径和低迁移障碍表明其具有快速离子导电的潜力.
- 这一发现为开发基于离子的储能器件的新材料开辟了道路.
相关概念视频
Ionic 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
Molecular and Ionic Solids
17.2K
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...
17.2K
Classification of Elements and Compounds
66.6K
Pure substances consist of only one type of matter. A pure substance can be an element or a compound. An element consists of only one type of atom, while a compound consists of two or more types of atoms held together by a chemical bond. Elements are classified as atomic or molecular based on the nature of their basic units.
Compounds are pure substances composed of two or more elements in fixed, definite proportions. Compounds are classified as ionic or molecular (covalent) based on the bonds...
Compounds are pure substances composed of two or more elements in fixed, definite proportions. Compounds are classified as ionic or molecular (covalent) based on the bonds...
66.6K
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 Compounds: Formulas and Nomenclature
67.1K
An element composed of atoms that readily lose electrons (a metal) can react with an element composed of atoms that readily gain electrons (a nonmetal) to produce ions through complete electron transfer. The compound formed by this transfer is stabilized by the electrostatic attractions (ionic bonds) between the oppositely charged ions.
67.1K
Crystal Field Theory - Tetrahedral and Square Planar Complexes
42.7K
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,...
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,...
42.7K


