Hydrogen is increasingly recognized as a clean energy alternative, offering effective storage
solutions for widespread adoption. Advancements in storage, electrolysis, and fuel cell …

We theoretically devised a novel complex by decorating Li atoms on the α-C 3 N 2 for
hydrogen storage, employing first-principles calculations. The findings reveal that: Li can be …

High storage capacity and moderate adsorption strength are two important requirements for
the successful development of hydrogen storage materials. In the present study, lithium …

The pure monolayer has low hydrogen gravimetric storage capacity due to the fact that their
van der Waals interactions are not strong enough. In this study, we proposed a novel …

The hydrogen storage potential of a 2D analogue of graphyne, holey graphyne (HGY)
monolayer decorated with the zirconium adatom is explored by the first-principles study. The …

With frequent switching of high power and high voltage circuits, SF 6 gas decomposes into
low fluorine gases, which causes deterioration of SF 6 gas. Therefore, such decomposed …

Flake-like particles are interesting materials for the preparation of alloys and homogeneous
nanocomposites, they also have potential use as hydrogen storage materials. However …

The exploration of novel sources of hydrogen energy has been a prime research focus in
recent past. Two-dimensional (2D) materials offering suitable physical and chemical …

In this work, the net-Y monolayer decorated by Li was investigated for hydrogen storage
through first-principles calculations. It was found that the added Li atom can be firmly …

The semiconducting characteristics of the B 3 C 2 N 3 and the BC 6 N monolayers are
investigated in the framework of a density functional theory. Here, we focus on the electronic …