在Ga-N系统中稳定基离子
Hang Zhai1,2, Rui Xu1, Jianhong Dai2
1State Key Laboratory of Superhard Materials, International Center for Computational Method and Software, and Jilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy Materials, Jilin University, Changchun 130012, China.
Journal of the American Chemical Society
|November 17, 2022
概括
研究人员在压力下探索- (Ga-N) 化合物,发现了GaN15,GaN10和GaN5等富含的新材料. 这些化合物是有前途的高能量密度材料,
科学领域:
- 材料科学
- 固态化学
- 计算化学
背景情况:
- 富含的化合物因其多样化的结合和作为高能量密度材料的潜力而引起兴趣.
- 在压缩系统中探索新组合是发现新材料的关键.
研究的目的:
- 在高压下研究 Ga-N 系统,以确定新的富化合物.
- 评估这些化合物作为高能量密度材料的潜力.
主要方法:
- 第一个原则是结构性搜索 (计算).
- 使用激光加热的钻石细胞进行实验合成.
- 热力学稳定性分析
- 分解能量的评估.
主要成果:
- 确定了三种热力学稳定的Ga-N静态度:GaN15,GaN10和GaN5.
- 这些化合物具有多功能聚合框架拓.
- 对GaN10和GaN5的合成压力低于纯固体.
- GaN10和GaN5被认为是有前途的高能量密度材料.
结论:
- 新型富含的Ga-N化合物可以在可获得的压力下合成.
- 这些材料对高能量密度应用具有前景.
- 这些发现有助于在极端条件下设计富含的材料和化学.
相关概念视频
Complexation Equilibria: Factors Influencing Stability of Complexes
451
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...
451
Structure of Amines
2.7K
The hybridized nitrogen atom in amines possesses a lone pair of electrons and is bound to three substituents with a bond angle of around 108°, which is less than the tetrahedral angle of 109.5°. However, the C–N–H bond angle is slightly larger at 112°, with a carbon–nitrogen bond length of 147 pm. This carbon–nitrogen bond length of of amines is longer than the carbon–oxygen bond of alcohols (143 pm) but shorter than alkanes’...
2.7K
1° Amines to Diazonium or Aryldiazonium Salts: Diazotization with NaNO2 Overview
3.4K
Nitrous acid and nitric acids are two types of acids containing nitrogen, among which nitrous acid is weaker than nitric acid. Nitrous acid with a pKa value of 3.37 ionizes in water to give a nitrite ion and the hydronium ion.
The nitrous acid is unstable. Hence, it is formed in situ from a solution of sodium nitrite and cold aqueous acids such as hydrochloric or sulfuric acid. In an acidic solution, the –OH group of nitrous acid undergoes protonation to give oxonium ion, followed by...
The nitrous acid is unstable. Hence, it is formed in situ from a solution of sodium nitrite and cold aqueous acids such as hydrochloric or sulfuric acid. In an acidic solution, the –OH group of nitrous acid undergoes protonation to give oxonium ion, followed by...
3.4K
Noble Gases
17.8K
The elements in group 18 are noble gases (helium, neon, argon, krypton, xenon, and radon). They earned the name “noble” because they were assumed to be nonreactive since they have filled valence shells. In 1962, Dr. Neil Bartlett at the University of British Columbia proved this assumption to be false.
17.8K
1° Amines to Diazonium or Aryldiazonium Salts: Diazotization with NaNO2 Mechanism
4.0K
Nitrous acid is a relatively weak and unstable acid prepared in situ by the reaction of sodium nitrite and cold, dilute hydrochloric acid. In an acidic solution, the nitrous acid undergoes protonation when it loses water to form a nitrosonium ion—an electrophile. Nitrous acid reacts with primary amines to give diazonium salts. The reaction is called diazotization of primary amines.
4.0K
2° Amines to N-Nitrosamines: Reaction with NaNO2
4.5K
Secondary amines react with nitrous acid to form N-nitrosamines, as depicted in Figure 1. Nitrous acid, a weak and unstable acid, is formed in situ from an aqueous solution of sodium nitrite and strong acids, such as hydrochloric acid or sulfuric acid, in cold conditions. In the presence of an acid, the nitrous acid gets protonated. The subsequent loss of water results in the formation of the electrophile known as nitrosonium ion.
4.5K


