相关实验视频
Updated: Mar 18, 2026

06:53
Fabrication and Optimization of Type II Silicon Clathrate Films
Published on: October 14, 2025
1.3K
填充,B替代的碳酸盐
Tao Zeng1,2, Roald Hoffmann1, Reinhard Nesper3
1Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853, United States.
Journal of the American Chemical Society
|September 15, 2015
概括
这项研究探讨了替代碳酸盐中的稳定 (Li) 离子. 理论计算表明这些结构特别是在压力下稳定,
科学领域:
- 材料科学
- 计算化学
- 固态化学
背景情况:
- 碳聚合物提供形结构, 客原子的空间有限.
- (Li) 离子的插入需要在酸盐框架内进行电荷补偿.
研究的目的:
- 调查 (B) 替代可以稳定离子插入碳酸盐的假设.
- 探索不同的替代策略及其对结构稳定的影响.
主要方法:
- 使用理论计算来评估各种化,B替代的碳酸盐结构的稳定性.
- 使用度标准和纽带长度指标来评估结构稳定性.
- 分析竞争的兴奋剂道,包括Li-B-C形成和碳空缺.
主要成果:
- 发现一些用添加的,用B替代的碳酸盐结构 (例如,2Li@C10B2,8Li@C38B8) 在理论上稳定.
- 在高压下稳定性特别明显.
- 不同的B替代策略影响了所得到的酸盐稳定性.
结论:
- 替代是一种可行的策略,可以在碳酸盐中实现稳定的离子插入.
- 这些发现表明,在压力下设计具有增强性能的新型酸盐材料具有潜力.
相关概念视频
Ionic Crystal Structures
20.0K
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...
20.0K
Hybridization of Atomic Orbitals I
69.1K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
69.1K
Valence Bond Theory
11.5K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.5K
β-Dicarbonyl Compounds via Crossed Claisen Condensations
4.0K
Crossed Claisen condensations are base-promoted reactions between two different ester molecules producing β-dicarbonyl compounds. The reaction involving esters, with both containing α hydrogen, results in a mixture of four different products that are difficult to isolate. This reduces the synthetic utility of the reaction.
4.0K
Network Covalent Solids
16.4K
Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
16.4K
Predicting Molecular Geometry
46.8K
VSEPR Theory for Determination of Electron Pair Geometries
46.8K

