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相关概念视频

Band Theory02:35

Band Theory

When two or more atoms come together to form a molecule, their atomic orbitals combine and molecular orbitals of distinct energies result. In a solid, there are a large number of atoms, and therefore a large number of atomic orbitals that may be combined into molecular orbitals. These groups of molecular orbitals are so closely placed together to form continuous regions of energies, known as the bands.
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
Energy Bands in Solids01:01

Energy Bands in Solids

Isolated atoms have discrete energy levels that are well described by the Bohr model. And, it quantifies the energy of an electron in a hydrogen atom as En. Higher quantum numbers 'n' yield less negative, closer electron energy levels.
 Band Formation:
When atoms are brought close together, as in a solid, these discrete energy levels begin to split due to the overlap of electron orbitals from adjacent atoms. This split occurs because of the Pauli exclusion principle, which states that no two...
Anionic Chain-Growth Polymerization: Mechanism01:04

Anionic Chain-Growth Polymerization: Mechanism

The mechanism for anionic chain-growth polymerization involves initiation, propagation, and termination steps. In the initiation step, a nucleophilic anion, such as butyl lithium, initiates the polymerization process by attacking the π bond of the vinylic monomer. As a result, a carbanion, stabilized by the electron‐withdrawing group, is generated. The resulting carbanion acts as a Michael donor in the propagation step and attacks the second vinylic monomer, which acts as a Michael acceptor.
Anionic Chain-Growth Polymerization: Overview01:20

Anionic Chain-Growth Polymerization: Overview

The polymerization process that involves carbanion as an intermediate is called anionic polymerization. It is also a type of addition or chain-growth polymerization. Anionic polymerization gets initiated by a strong nucleophile such as an organolithium or a Grignard reagent. The most commonly used initiator for anionic polymerization is butyl lithium. Monomers involved in anionic polymerization must possess a vinyl group bonded to one or two electron-withdrawing groups. For instance,...
Cationic Chain-Growth Polymerization: Mechanism00:57

Cationic Chain-Growth Polymerization: Mechanism

The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the generated carbocation,...
Semiconductors01:22

Semiconductors

There is variation in the electrical conductivity of materials - metals, semiconductors, and insulators that are showcased with the help of the energy band diagrams.
Metals such as copper (Cu), zinc (Zn), or lead (Pb) have low resistivity and feature conduction bands that are either not fully occupied or overlap with the valence band, making a bandgap non-existent. This allows electrons in the highest energy levels of the valence band to easily transition to the conduction band upon gaining...

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相关实验视频

Updated: May 27, 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

在捐赠-接受聚合物中的原子波段间隙工程.

Gregory L Gibson1, Theresa M McCormick, Dwight S Seferos

  • 1Lash Miller Chemical Laboratories, Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario M5S 3H6, Canada.

Journal of the American Chemical Society
|December 2, 2011
PubMed
概括

我们合成了供体-接受体共聚物,不同的硫,,原子和原子. 这种单个原子替代允许调整光带间隙,提供了超越传统理论的聚合物特性的新控制.

科学领域:

  • 材料科学 材料科学 材料科学
  • 有机电子 有机电子
  • 聚合物化学 聚合物化学

背景情况:

  • 捐赠者-接受者 (D-A) 共聚物在有机电子学中至关重要.
  • 调整D-A共聚合物的电子特性对于设备性能至关重要.
  • 重原子替代对D-A共聚合物特性的影响需要进一步研究.

研究的目的:

  • 通过系统的硫 (S), (Se) 和 (Te) 替代合成和表征一系列D-A共聚物.
  • 研究单原子替代 (S,Se,Te) 对D-A共聚合物的光学和电子性能的影响.
  • 通过计算和光谱方法,了解控制这些属性变化的基本机制.

主要方法:

  • 合成含有S,Se和Te的D-A共聚物.
  • 光学光谱学 (UV-Vis吸收) 用于确定光学过渡和频段间隙.
  • 索尔瓦托克罗米斯研究探讨环境对光学属性的影响.
  • 密度函数理论 (DFT) 和时间依赖的DFT (TD-DFT) 计算用于理论分析.

主要成果:

  • 成功合成含有S,Se和Te的D-A共聚合物,而Te聚合物需要在聚合后进行替代.
  • 在所有聚合物中观察双带光学吸收配置.

更多相关视频

Using Microwave and Macroscopic Samples of Dielectric Solids to Study the Photonic Properties of Disordered Photonic Bandgap Materials
10:35

Using Microwave and Macroscopic Samples of Dielectric Solids to Study the Photonic Properties of Disordered Photonic Bandgap Materials

Published on: September 26, 2014

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

相关实验视频

Last Updated: May 27, 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

Using Microwave and Macroscopic Samples of Dielectric Solids to Study the Photonic Properties of Disordered Photonic Bandgap Materials
10:35

Using Microwave and Macroscopic Samples of Dielectric Solids to Study the Photonic Properties of Disordered Photonic Bandgap Materials

Published on: September 26, 2014

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

  • 在低能光学转换中显著的红移以及随着原子数的增加而降低其强度 (S 到 Se 到 Te).
  • 带间隙从1.59 eV (S) 减少到1.46 eV (Se) 减少到1.06 eV (Te).
  • 高能频段在能量和强度方面保持相对不变.
  • 观察到的趋势偏离了标准的DA理论,这表明额外的因素会影响光学特性.
  • 结论:

    • 在DA共聚物中单原子替代 (S,Se,Te) 为带隙工程提供了一种新的策略.
    • 低能吸收的红色转移归因于电离潜力的降低,键的长度增加和接受器芳香度的降低.
    • 低能频段强度的降低与接受器单元的电负率和电荷分离能力的降低有关.
    • 既定的DA理论需要通过考虑单个原子替代效应来进行全面的财产控制来增强.