Graphene-based materials have generated tremendous interest in a wide range of research
activities. A wide variety of graphene related materials have been synthesised for potential …

The repercussions of the burning of fossil fuels on the global air quality index need to be
countered with implementable green alternatives such as the hydrogen economy. High …

New carbon materials have recently been derived from graphene theoretically and
experimentally, hydrogenated graphene (graphane), fluorinated graphene (fluorographene) …

The exploitation of solid hydrogen storage materials is an essential part of the large-scale
utilization of hydrogen energy. However, existing hydrogen storage materials cannot have …

High dehydrogenation temperature and slow dehydrogenation kinetics impede the practical
application of magnesium hydride (MgH 2) serving as a potential hydrogen storage medium …

In this work, we calculate stabilities, electronic properties and hydrogen adsorption
properties of Li-decorated freestanding borophene. It was studied through three functionals …

Biphenylene carbon (BPC) functionalized with alkali and alkaline earth metals is considered
for its potential as a high capacity hydrogen storage material. Using density functional theory …

In the framework of the European Cooperation in Science and Technology (COST) Action
MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized …

We report the hydrogen storage properties of the bilayer h-BN/Gr heterostructure using the
density functional theory calculations incorporating DFT-D2 and D3 dispersion corrections …

On the basis of first principle density functional theory, we have studied the stability,
electronic structure, and hydrogen storage capacity of a monolayer calcium doped graphane …