Sustainable development of hydrogen energy is a prime concern to address the rising
energy demand and the global energy problem since the hydrogen economy is reliable for …

The increasing energy demand and the worldwide energy crisis must be met in large part
via the sustainable growth of hydrogen energy, since this economy is relied upon to provide …

We study the hydrogen storage properties of planar boron sheets and compare them to
those of graphene. The binding of molecular hydrogen to the boron sheet (0.05 eV) is …

The success of Graphene has triggered the research interest in other stable, single and few-
atom-thick layers of van der Waals materials, which can possess attractive and …

In the study conducted in the present research hydrogen storage properties of pristine and Li-
decorated BC6N monolayer are considered by first-principles calculations. It is predicted …

Modeling layered intercalation compounds from first principles poses a problem, as many of
their properties are determined by a subtle balance between van der Waals interactions and …

Recently, two dimensional graphenelike ie Si 2 BN solid monolayer have attracted much
attention for the use of hydrogen developments. The work is based on first principles …

The potential application of Li‐decorated Al2C template for hydrogen storage is researched
by using periodic DFT computations. Based on the obtained results, pristine Al2C monolayer …

The monolayer AlN is one of graphene-like 2D material. On the basis of density functional
theory (DFT) calculations, the adsorption of CO 2, CO, H 2, N 2, CH 4, O 2 and NO on the …

Strain effects on the stability, electronic structure, and hydrogen storage capacity of lithium-
doped graphane have been investigated by state-of-the-art first principles density functional …