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Ultrasound Velocity Measurement in a Liquid Metal Electrode
Published on: August 5, 2015
(几乎) 固体Li(NH3) 4:一个膨胀金属的电子.
Eva Zurek1, Xiao-Dong Wen, Roald Hoffmann
1Department of Chemistry, State University of New York at Buffalo, 331 Natural Sciences Complex, Buffalo, New York 14260, United States. ezurek@buffalo.edu
Journal of the American Chemical Society
|February 24, 2011
概括
((0)) 胺,一种电极,表现出独特的四面体结构和电子性质. 理论研究揭示了其在压力下的稳定性和独特的带结构,为新材料提供了洞察力.
科学领域:
- 固态化学 固态化学
- 材料科学是一种材料科学.
- 计算物理学的计算物理.
背景情况:
- ((0)) 胺是一种由和氨溶液形成的电极体.
- 其复杂的电子结构和特性尚未完全理解.
- 结晶发生在低温 (90K) 上.
研究的目的:
- 为了理论上研究第二阶段,Z=8,I43d结构的(0) 胺.
- 为了阐明这种材料的电子结构和稳定性.
- 解释观察到的带结构,并将其与材料特性联系起来.
主要方法:
- 使用计算物理方法进行理论研究.
- 对I43d晶体结构及其稳定性的分析.
- 检查电子带结构和电子密度分布.
主要成果:
- 分子构建块是一个几乎理想的四面体,与实验一致.
- 在压力下,I43d结构比bcc和Cs-IV配置更稳定.
- 确定了六个狭窄带,其中四个被占用,与氨基分子之间的电子密度口袋有关.
结论:
- 证实了(0) 胺的电极性质和独特的带结构.
- 乔特纳型模型通过考虑电子密度孔中的伪原子来解释带结构.
- 这种材料因其低点和独特的电子特性而独特.
相关概念视频
Metallic Solids
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Bonding in Metals
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
Metal-Ligand Bonds
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...
Ionic Bonding and Electron Transfer
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.
Alkali Metals
Group 1 elements are soft and shiny metallic solids. They are malleable, ductile, and good conductors of heat and electricity. The melting points of the alkali metals are unusually low for metals and decrease going down the group, while the density increases going down the group with the exception of potassium (Table 1).
Table 1: Properties of the alkali metals
Table 1: Properties of the alkali metals
Metal-Semiconductor Junctions
The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The semiconductor's...
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The semiconductor's...

