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関連する概念動画

MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

14.4K
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
14.4K
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

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Molecular Orbital Energy Diagrams
27.9K
Valence Bond Theory02:42

Valence Bond Theory

11.4K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.4K
MOS Capacitor01:25

MOS Capacitor

1.6K
A Metal-Oxide-Semiconductor (MOS) capacitor is a fundamental structure used extensively in semiconductor device technology, particularly in the fabrication of integrated circuits and MOSFETs (metal-oxide-semiconductor field-effect transistors). The MOS capacitor consists of three layers: a metal gate, a dielectric oxide, and a semiconductor substrate.
The metal gate is typically made from highly conductive materials such as aluminum or polysilicon. Beneath the metal gate lies a thin layer of...
1.6K
MOSFET: Enhancement Mode01:22

MOSFET: Enhancement Mode

896
Enhancement-mode MOSFETs are pivotal components in electronics, distinguished by their capacity to act as highly efficient switches. They are part of the larger family of metal-oxide Semiconductor Field-Effect Transistors (MOSFETs). They are available in two types: p-channel and n-channel, each tailored to specific polarity operations.
In their basic form, enhancement-mode MOSFETs are typically non-conductive when the gate-source voltage (Vgs) is zero. This default 'off' state means no...
896
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

48.1K
Overview of Molecular Orbital Theory
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関連する実験動画

Updated: Feb 26, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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ドープMoS2の分子動力学シミュレーションを可能にする機械学習原子間ポテンシャル

Abrar Faiyad1, Ashlie Martini1

  • 1University of California Merced, Merced, California 95343, United States.

Journal of chemical theory and computation
|February 24, 2026
PubMed
まとめ

本研究では、ドープ二硫化モリブデン(MoS2)の特性予測のための機械学習原子間ポテンシャル(MLIP)を検証する。検証されたMLIPは、調整された性能を持つ新しいMoS2材料を発見するための効率的なシミュレーションを可能にする。

キーワード:
二硫化モリブデン機械学習原子間ポテンシャル分子動力学材料科学ドーパント

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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Last Updated: Feb 26, 2026

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All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
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