阳离子-离子双离子多站点注稳定了丰富的多层氧化物的晶体结构
Jidong Duan1, Mengjie Huang1, Maoxia Yang1
1Chengdu Development Center of Science and Technology, China Academy of Engineering Physics, Chengdu, Sichuan 610207, P. R. China.
ACS applied materials & interfaces
|July 26, 2023
概括
研究人员开发了一种使用和硫的双离子兴奋剂策略,以稳定富含的分层氧化物结构,改善离子电池性能和能量密度.
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
- 固态化学 固态化学
背景情况:
- 富含的分层氧化物 (LLOs) 对于高能量密度的离子电池 (LIB) 是至关重要的.
- 在LLO中,结构稳定性较差,导致容量衰减和电压衰减.
- 需要先进的兴奋剂策略来提高LLO的性能.
研究的目的:
- 为了稳定LLOs的晶体结构,使用一种新的阴离子二离子多位多方法.
- 研究 (Mg) 和硫 (S) 兴奋剂对LLO结构和电化学特性的影响.
- 为设计高性能LLO阴极材料提供一种新方法.
主要方法:
- 使用Mg和S原子的阳离子二离子多站点兴奋剂策略.
- 在和过渡金属 (TM) 层中的Mg替代.
- 在四面体间歇和格子O位点的S占用.
- 分析电子结构变化的理论计算.
主要成果:
- /S双离子多站点注有效地稳定了LLO晶体结构.
- 兴奋剂降低了TM 3d-O 2p的能量水平,并隔离了O 2p轨道,增强了晶格氧气的稳定性.
- 多站点合样本显示显著改善了电化学性能.
结论:
- 双离子Mg/S多站点兴奋剂策略是提高LLO稳定的有希望的方法.
- 这种方法为开发高能量密度LIB的先进LLO阴极材料提供了新的途径.
- 稳定晶体结构是克服LLO性能限制的关键.
相关概念视频
Ionic Crystal Structures
14.5K
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...
14.5K
Ionic Bonding and Electron Transfer
41.7K
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.
41.7K
Metal-Ligand Bonds
21.0K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
21.0K
Complexation Equilibria: Factors Influencing Stability of Complexes
415
In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
415
Crystal Field Theory - Octahedral Complexes
26.8K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.8K
Trends in Lattice Energy: Ion Size and Charge
24.0K
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:
24.0K


