ダイレクト・バンド・ギャップとアニゾトロピック・キャリア・モビリティを持つ二次元PC6
Tong Yu1, Ziyuan Zhao1, Yuanhui Sun2
1Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education , Northeast Normal University , Changchun 130024 , China.
Journal of the American Chemical Society
|January 5, 2019
まとめ
研究者らは,PC6という新しい2D材料を発見し,それは高伝導性と幅広い光吸収を持つ半導体である. このグラフェンに似た素材は 先進的な電子装置や光伏装置に 期待されています
科学分野:
- 材料科学
- 凝縮物質物理学
- コンピュータ化学
背景:
- グラフェンとフォスフォレンは2Dの重要な材料ですが,グラフェンのゼロバンドギャップとフォスフォレンの不安定性がアプリケーションを制限します.
- 原子的に薄い材料は 独特の電子と光学特性を備えています
研究 の 目的:
- グラフェンとフォスフォレン以外の望ましい性質を持つ新しい2D材料を特定する.
- 新しいブックドグラフェン型PC6単層の可能性を調査する.
主な方法:
- 最初の原則は,偏りのない構造検索計算を使用しました.
- 密度関数理論 (DFT) ベースの方法は,プロパティの評価に使用されました.
主要な成果:
- 新規の曲げられたグラフェン型のPC6単層が特定されました.
- PC6は,0.84 eVの直接帯域ギャップ,高いアニソトロピック伝導性 (電子の移動性は2.94 × 10 × 5 cm × 2 cm,穴の移動性は1.64 × 10 × 5 cm × 2 cm × 1 cm) を表しています.
- PC6は,幅広いスペクトル (3002000 nm) で高い吸収係数 (105cm-1) を示し,5%のバイアシアルストレスの下で直接のバンドギャップを維持しています.
結論:
- 予測されたPC6単層は,優れた電子および光学特性を有しています.
- PC6は次世代の電子機器と太陽電池装置の有望な候補である.
関連する概念動画
02:35Band Theory
17.2K
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,...
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
17.2K
01:24Electron Carriers
91.8K
Electron carriers can be thought of as electron shuttles. These compounds can easily accept electrons (i.e., be reduced) or lose them (i.e., be oxidized). They play an essential role in energy production because cellular respiration is contingent on the flow of electrons.
Over the many stages of cellular respiration, glucose breaks down into carbon dioxide and water. Electron carriers pick up electrons lost by glucose in these reactions, temporarily storing and releasing them into the electron...
Over the many stages of cellular respiration, glucose breaks down into carbon dioxide and water. Electron carriers pick up electrons lost by glucose in these reactions, temporarily storing and releasing them into the electron...
91.8K
01:37Gap Junctions
57.1K
Multicellular organisms employ a variety of ways for cells to communicate with each other. Gap junctions are specialized proteins that form pores between neighboring cells in animals, connecting the cytoplasm between the two, and allowing for the exchange of molecules and ions. They are found in a wide range of invertebrate and vertebrate species, mediate numerous functions including cell differentiation and development, and are associated with numerous human diseases, including cardiac and...
57.1K
01:27Gap Junctions
9.5K
The cytoplasm of adjacent animal cells can exchange small molecules, ions, and secondary messengers via the communication channels which form the gap junctions. These junctions comprise a few hundred to thousands of molecular channels, each made of two halves, called the connexon hemichannel. A connexon is a hexamer of six transmembrane connexin proteins, which assemble radially, thus forming a pore or channel in the center. One connexon hemichannel docks with a corresponding connexon on the...
9.5K
01:21Carrier Transport
949
The generation of electrical current in semiconductors is fundamentally driven by two mechanisms: drift and diffusion. These processes are essential for the functionality and performance of semiconductor-based devices.
Drift Current:
The drift of charge carriers is started by an external electric field (E). Charged particles, such as electrons and holes, experience an acceleration between collisions with lattice atoms. For electrons, this results in a drift velocity (vd) given by:
Drift Current:
The drift of charge carriers is started by an external electric field (E). Charged particles, such as electrons and holes, experience an acceleration between collisions with lattice atoms. For electrons, this results in a drift velocity (vd) given by:
949
01:01Energy Bands in Solids
2.0K
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...
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...
2.0K