Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Predicting Molecular Geometry02:27

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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...
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

Molecular Orbital Energy Diagrams
Newman Projections02:06

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.
VSEPR Theory and the Basic Shapes02:52

VSEPR Theory and the Basic Shapes

Overview of VSEPR Theory
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Research trends and potential molecular intersections between diabetic kidney disease and sarcopenia: a 21-year bibliometric and bioinformatics analysis.

Frontiers in endocrinology·2026
Same author

Trichlorfon induces hemolymph dysbiosis, oxidative stress, and immune response in Chinese mitten crab (Eriocheir sinensis).

Developmental and comparative immunology·2026
Same author

Pressure-Induced Electronic Topological Transition and Superconducting Transition in Two-Dimensional Topological Insulator GeBi<sub>2</sub>Te<sub>4</sub>.

Inorganic chemistry·2026
Same author

Protocol for ultrafast immunolabeling and 3D imaging of whole organs and large tissues.

STAR protocols·2026
Same author

The nucleosome assembly protein 1 like 1: From histone chaperone to disease regulator.

Biochemical pharmacology·2026
Same author

From complexity to clarity: aging bone marrow niche in bone and blood regeneration and malignancy.

Bone research·2026
Same journal

Switching Site Selectivity in Alkoxyamine Hydration: From Lone-Pair Direction to Solvent Network Dominance.

Journal of the American Chemical Society·2026
Same journal

A Topotactic Leap: 2D Layers to 3D Large-Pore Zeolite.

Journal of the American Chemical Society·2026
Same journal

Enhanced Hydrogen Evolution over Single-Atom Catalysts via Electrostatic Polarization in Contact-electro-catalysis.

Journal of the American Chemical Society·2026
Same journal

Tumor Acidity-Activatable Ionizable Lipid Nanoparticles for Selective Oncolytic Therapy.

Journal of the American Chemical Society·2026
Same journal

Alternating Magnetic Field Promotes Ammonia Cracking by Disrupting the Sabatier Limitation of Ruthenium Catalytic Species.

Journal of the American Chemical Society·2026
Same journal

Bulk Ferromagnetic Icosahedral Quasicrystals without Rapid Quenching.

Journal of the American Chemical Society·2026
查看所有相关文章

相关实验视频

Updated: May 29, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

通过全球优化方法预测二维碳化合物.

Xinyu Luo1, Jihui Yang, Hanyu Liu

  • 1Key Laboratory of Computational Physical Sciences (Ministry of Education), and Department of Physics, Fudan University, Shanghai 200433, PR China.

Journal of the American Chemical Society
|September 6, 2011
PubMed
概括
此摘要是机器生成的。

研究人员使用粒子优化 (PSO) 来发现新的二维碳纳米结构. 大多数是金属的,但BC(3) 是半导体的,BC显示了高的热稳定性.

更多相关视频

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
07:36

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

相关实验视频

Last Updated: May 29, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
07:36

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学计算化学
  • 凝聚物质物理学 凝聚物质物理学

背景情况:

  • 二维 (2D) 材料具有独特的电子和机械性能.
  • -碳 (B-C) 化合物是新材料应用的有希望的候选物.
  • 预测稳定的2D纳米结构需要先进的计算方法.

研究的目的:

  • 预测各种组成的碳化合物的新型稳定的二维纳米结构.
  • 调查这些预测的BC材料的电子和结构性质.
  • 根据它们的独特特征,探索潜在的应用.

主要方法:

  • 全球优化使用粒子优化 (PSO) 算法.
  • 密度函数理论 (DFT) 计算用于结构和电子属性分析.
  • 系统地探索 B-C 阶段空间,寻找稳定的 2D 配置.

主要成果:

  • 预测具有不同度的新稳定的2D B-C化合物.
  • 在大多数二维B-C化合物中识别金属行为,其中BC(3) 具有半导体特性.
  • 在B丰富化合物中发现了高度热稳定的2DBC结构 (超过2000K) 和一种新的平面四坐标碳基因.

结论:

  • 该研究扩大了2D B-C材料已知的相空间.
  • 多样化的电子特性 (金属和半导体) 表明可调节的应用.
  • 预测的稳定结构,包括耐热的BC和新的图案,为未来的材料设计提供了令人兴奋的途径.