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 …

Rapid consumption of fossil fuels is pressing the search for renewable energy alternatives,
including renewable and renewable energy technologies. The recyclable battery is one new …

Adsorptions of CO on pristine, Fe-, Ru-, Os-, Co-, Rh-, Ir-, Ni-, Pd-, and Pt-doped graphene
were investigated, using density functional theory calculation at B3LYP/LanL2DZ theoretical …

Behavior of methane adsorption on typical carbon based materials was comparatively
studied for development of storage medium for adsorbed natural gas (ANG). Three kinds of …

The main purpose of the present article is an investigation of electronic properties of Ag-
decorated graphene (Ag-G), in the presence of ambient O 2 molecules, when methane gas …

Recent advances in drilling and well stimulation technologies have led to rapid development
of shale formations as an important natural gas resource. However a comprehensive …

To improve the methane (CH4) storage performance of graphene oxide (GO), molecular
dynamics (MD) simulations and density functional theory (DFT) calculation were employed …

We consider single metal atoms supported on graphene as possible candidate systems for
on-board vehicular storage of methane or for methane activation. We use density functional …

The aim of this research was to compare the structure, sorption properties and the kinetics of
sorption to CO 2 and CH 4 in nanomaterials with a very orderly structure and in structurally …

Graphene and single layer hexagonal boron-nitride are two newly discovered 2D materials
with wonderful physical properties. Using density functional theory, we study the adsorption …