Hydrogen is an ideal energy carrier which is considered for future transport, such as
automotive applications. In this context storage of hydrogen is one of the key challenges in …

Hydrogen has been widely considered as a clean energy carrier that bridges the energy
producers and energy consumers in an efficient and safe way for a sustainable society …

Using the state-of-the art Density Functional Theory simulations, here we report the
hydrogen storage capability in titanium decorated Ѱ-Graphene, an advanced 2D allotrope of …

By applying density functional theory (DFT) and ab-initio molecular dynamics (AIMD)
simulations, we predict the ultrahigh hydrogen storage capacity of K and Ca decorated …

By employing the state-of-the-art density functional theory, we report the hydrogen storage
capability of yttrium decorated C 24 fullerene. Single Y atom attached on C 24 fullerene can …

In this work, the crystal structure and hydrogen storage properties of V 35 Ti 30 Cr 25 Fe 10,
V 35 Ti 30 Cr 25 Mn 10, V 30 Ti 30 Cr 25 Fe 10 Nb 5 and V 35 Ti 30 Cr 25 Fe 5 Mn 5 BCC …

Using first principles density functional theory simulations, we have observed that the
scandium decorated C 24 fullerene can adsorb up to six hydrogen molecules with an …

Hydrogen has been long known to provide a solution toward clean energy systems. With this
notion, many efforts have been made to find new ways of storing hydrogen. As a result …

The metallic vanadium has an excellent hydrogen storage properties in comparison to other
hydride forming metals such as titanium, uranium, and zirconium. The gravimetric storage …

Employing the state-of-the art Density Functional Theory (DFT) Simulations, we have
investigated hydrogen storage capability in zirconium doped novel 2D heterostructures …