一维的机械化学:结构和电子过渡
Mingjie Liu1, Vasilii I Artyukhov1, Boris I Yakobson1
1Department of Materials Science & NanoEngineering, and Department of Chemistry, Rice University , Houston, Texas 77005, United States.
Journal of the American Chemical Society
|January 19, 2017
概括
研究人员发现了一维的两种形式, 这些纳米结构具有显著的机械刚性和独特的电子特性,为先进的纳米尺度设备铺平了道路.
科学领域:
- 材料科学
- 凝聚物质物理学
- 纳米技术
背景情况:
- 最近合成纳米结构的进展,包括富勒烯和原子薄层,促使对一维 (1D) 进行研究.
- 一维材料的新特性潜力推动了的独特结构和电子特征的探索.
研究的目的:
- 研究一维结构的稳定性,性能和潜在应用.
- 确定和描述1D的不同阶段及其相互转换机制.
主要方法:
- 使用第一原理计算来建模和分析1D的行为.
- 探索不同异构体之间的机械张力 (负压) 驱动的相变.
主要成果:
- 确定两个稳定的1D异构体:两原子宽的带和一个单原子链.
- 发现了连接这两种异构体的电压驱动相变.
- 与领先的纳米材料相比,具有特殊的机械刚性.
- 从金属状态到反铁磁半导体的相位过渡的观察.
- 在相界面上的可伸缩1D Schottky结的特征.
- 作为恒压纳米弹的双相系统的建议.
结论:
- 1D的预测性质,包括其机械和电子行为,表明其应用的巨大潜力.
- 这些发现为开发利用工程1D结构的新型纳米电子和机械设备开辟了道路.
相关概念视频
Hybridization of Atomic Orbitals I
68.8K
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...
68.8K
Molecular Orbital Theory II
28.1K
Molecular Orbital Energy Diagrams
28.1K
Exceptions to the Octet Rule
38.2K
Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
38.2K
Hydroboration-Oxidation of Alkenes
11.9K
In addition to the oxymercuration–demercuration method, which converts the alkenes to alcohols with Markovnikov orientation, a complementary hydroboration-oxidation method yields the anti-Markovnikov product. The hydroboration reaction, discovered in 1959 by H.C. Brown, involves the addition of a B–H bond of borane to an alkene giving an organoborane intermediate. The oxidation of this intermediate with basic hydrogen peroxide forms an alcohol.
11.9K
Colors and Magnetism
14.4K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
14.4K
UV–Vis Spectroscopy: Molecular Electronic Transitions
3.3K
In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
3.3K


