相关实验视频

Updated: Jun 6, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

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

Published on: April 12, 2019

12.7K

在不同温度下对二维MoP2进行总吸引力和储存的分析,使用第一原理分子动力学方法

Alma Lorena Marcos Viquez1, Osiris Salas Torres2, Luis Fernando Magaña Solís1

  • 1Instituto de Física, Universidad Nacional Autónoma de México, Apartado Postal 20-364, Mexico City 01000, Mexico.

Molecules (Basel, Switzerland)
|November 27, 2024
PubMed
概括

有缺陷的化 (MoP2) 2D材料对储存有希望. 一个有缺陷的MoP2表面在77K达到6.02%的重力测量能力,符合美国能源部的要求.

关键词:
2D MoP2 的2D MoP2是什么?两维材料是二维材料.吸附吸附是一种吸附.表面的力量 表面的力量

更多相关视频

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.2K
Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

26.6K

相关概念视频

Molecular Orbital Theory II03:51

Molecular Orbital Theory II

Molecular Orbital Energy Diagrams
19.0K
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

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...
10.3K
Thermodynamic Potentials01:26

Thermodynamic Potentials

Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
779
Hückel's Rule Diagram of π MOs: Frost Circle01:08

Hückel's Rule Diagram of π MOs: Frost Circle

The Frost circle or the inscribed polygon method is a graphical method for determining the relative energies of π molecular orbitals (MOs) for planar, fully conjugated, and monocyclic compounds. This method was first described by A. A. Frost and Boris Musulin in 1953.
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so...
4.3K
Heat Capacities of an Ideal Gas II01:23

Heat Capacities of an Ideal Gas II

For a system that undergoes a thermodynamic process at a constant volume condition, the heat absorbed is used only to increase the system's internal energy and not for doing any kind of work. While for a system undergoing a thermodynamic process under a constant pressure condition, the amount of heat absorbed is used not only for increasing the internal energy (as a function of temperature) but also for doing some work. The molar heat capacity is the amount of heat required to increase the...
2.4K
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
12.6K