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Updated: Jul 5, 2025

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

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为了模拟碳化的不同原子间潜力的比较和评估

Jiajie Yu1, Xiyue Dai1, Jiayuan Li1

  • 1Center on Nanoenergy Research, Guangxi Colleges and Universities Key Laboratory of Blue Energy and Systems Integration, Carbon Peak and Neutrality Science and Technology Development Institute, School of Physical Science & Technology, Guangxi University, Nanning 530004, China.

Materials (Basel, Switzerland)
|January 11, 2024
PubMed
概括

选择正确的原子间电位是碳化 (SiC) 模拟的关键. 这项研究评估了SiC的多种潜力.

关键词:
缺陷 缺陷 缺陷 缺陷 缺陷原子间潜在的原子间潜力.机械性能 机械性能 机械性能分子动力学模拟模拟碳化是碳化的重要组成部分.热性质 热性质 热性质

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations13:56

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Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon06:57

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Types of Semiconductors01:20

Types of Semiconductors

Intrinsic semiconductors are highly pure materials with no impurities. At absolute zero, these semiconductors behave as perfect insulators because all the valence electrons are bound, and the conduction band is empty, disallowing electrical conduction. The Fermi level is a concept used to describe the probability of occupancy of energy levels by electrons at thermal equilibrium. In intrinsic semiconductors, the Fermi level is positioned at the midpoint of the energy gap at absolute zero. When...
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Network Covalent Solids

Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
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Valence Bond Theory

Overview of Valence Bond Theory
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Van der Waals Equation

The ideal gas law is an approximation that works well at high temperatures and low pressures. The van der Waals equation of state (named after the Dutch physicist Johannes van der Waals, 1837−1923) improves it by considering two factors.
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An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
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