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Updated: Jun 8, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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从绝缘体调整到金属的五角石墨烯的电子带隙通过功能化调整:一个第一原则计算

J O Morales-Ferreiro1,2, Gerardo Silva-Oelker1,2, Chandra Kumar1

  • 1Escuela de Ingeniería, Facultad de Ciencias, Ingeniería y Tecnología, Universidad Mayor, Santiago 7500994, Chile.

Nanomaterials (Basel, Switzerland)
|November 8, 2024
PubMed
概括

用或化学功能化五石墨烯 (PG) 将其转化为绝缘体,而化诱导金属性质. 这种电子带结构的调整为纳米电子材料提供了新的途径.

关键词:
乐队间隔 乐队间隔 乐队间隔含有的化物.密度函数理论密度函数理论电子结构 电子结构有的化物.有的化物.五角石墨烯是一种五角石墨烯.

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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,...
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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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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...
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