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関連する概念動画

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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関連する実験動画

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

ドナー・アクセプターポリマーにおける原子化帯域ギャップエンジニアリング

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
まとめ
この要約は機械生成です。

ドナー・アクセプター共ポリマーを合成し,硫黄からセレニウム,テロリウム原子まで変化させました. この単一の原子置換は,光学帯のギャップの調整を可能にし,伝統的な理論を超えたポリマーの特性に対する新しい制御を提供します.

さらに関連する動画

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

関連する実験動画

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

科学分野:

  • マテリアルサイエンス 材料科学
  • オーガニック・エレクトロニクス
  • ポリマー化学のポリマー化学について

背景:

  • ドナー-受容体 (D-A) コポリマーは,有機電子工学において極めて重要です.
  • D-Aコポリマーの電子特性を調節することは,デバイスの性能にとって不可欠です.
  • D-A共ポリマーの特性に対する重原子置換の影響については,さらなる調査が必要である.

研究 の 目的:

  • 系統的な硫黄 (S),セレニウム (Se),テルリウム (Te) 置換による一連のD-A共ポリマーを合成し,特徴づけること.
  • 単一原子置換 (S,Se,Te) がD-A共ポリマーの光学および電子特性に与える影響を調査する.
  • 計算的およびスペクトロスコピ的方法を使用して,これらの特性変化を制御する根本的なメカニズムを理解する.

主な方法:

  • S,Se,Teを含むD-A共ポリマーを合成する.
  • 光学スペクトル検査 (UV-Vis吸収) で,光学トランジションと帯域のギャップを測定する.
  • Solvatochromismは,光学特性に対する環境効果を調査するための研究である.
  • 理論分析のための密度関数理論 (DFT) と時間依存型DFT (TD-DFT) の計算.

主要な成果:

  • S-,Se-,およびTeを含むD-A共ポリマーの合成が成功し,Teポリマーはポリマー化後の置換を必要とする.
  • すべてのポリマーの双帯域光学吸収プロファイルの観察.
  • 低エネルギー光学移行における重要な赤色シフトと,原子番号 (S から Se から Te) が増加するにつれてその強度が低下する.
  • バンドギャップは1.59 eV (S) から1.46 eV (Se) から1.06 eV (Te) まで減少した.
  • 高エネルギー帯は,エネルギーと強度が比較的一定であった.
  • 観測された傾向は標準的なDA理論から逸脱しており,追加の要因が光学特性に影響することを示唆しています.

結論:

  • D-Aコポリマーにおける単原子置換 (S,Se,Te) は,バンドギャップエンジニアリングの新たな戦略を提供します.
  • 低エネルギー吸収における赤色シフトは,イオン化の潜在力の低下,結合長さの増加,受容体の芳香性の減少に起因する.
  • 低エネルギー帯域強度の減少は,受容器ユニットの電子負性と電荷分離能力の低下に関連しています.
  • 確立されたD-A理論は,包括的な財産管理のための単一原子置換効果の考慮で拡張する必要があります.