Hydrogenoccurs as a diatomic element with a bond energy of 435kJ/mol. Although not normally found in compounds as H+, some solids exist that contain the H5O2+(H2O·H+·OH2) cation, and several species having the formula Hn+(wheren=an odd integer) have been identified. Hydrogen is produ...
As the molecule, H2, hydrogen is an odourless, colourless gas with a density one-fourteenth that of air. To condense the molecule to a denser liquid, the temperature must be reduced to 20.3 K. When hydrogen is released, it disperses rapidly. Relative to other fuels, hydrogen has the ...
The interplay between hydrogen and nanovoids, despite long being recognized as a central factor in hydrogen-induced damage in structural materials, remains poorly understood. Here, focusing on tungsten as a model body-centred cubic system, we explicitly
Hydrogen may be used in fuel cells for local electricity generation or potentially as a transportation fuel. 【参考译文】氢气可用于燃料电池中进行现场发电,或作为潜在的运输燃料。 Hydrogen is produced as a by-product of industrial chlorine production by electrolysis. Although requiring expensive technologie...
The two-center integrals are very tedious to calculate, here I only show the mathematical expression, leaving coding expression using only distance between the two nucleus \vert \boldsymbol{R}_{A} - \boldsymbol{R}_{B}\vert as an exercise to readers. \begin{aligned} Q_{p,A;q,B;r,C...
condition. Here, H-atom addition energy (HAE) was calculated via density functional theory (DFT) for these three candidates and used to assess their ability to carry a H atom. These HAE values were defined as the energy change for the addition of a H atom to a molecule (M) in gas ...
Liquid ammonia is seen as a interesting carrier for hydrogen due to its unique advantages over other liquid fuels, i.e. well-established infrastructure, production of inherently COx-free hydrogen1. Recently, renewed interest in this catalytic process has increased by the growing requ...
More promisingly from an emissions perspective, an electrolyzer can be used to split a water molecule into hydrogen and oxygen, and it can be powered with almost any energy source — including zero-emissions sources like solar or wind, creating what is known as “green hydrogen.” ...
Hydrogen bonding is the attractive interaction that occurs between a hydrogen atom bound in a molecule to an electronegative atom such as oxygen or nitrogen and another electronegative atom from a different molecule (intermolecular) or even from the same molecule (intramolecular). ...
The most general approach is to treat the hydrogen molecule as a four-body system, where the starting point is the solution of the Schrodinger equation in which electrons and atomic nuclei are treated similarly. Such a direct nonadiabatic (DNA) approach, see Section 2.3, accounts strictly for ...