A planar honeycomb monolayer of siligraphene (SiC 7) could be a prospective medium for
clean energy storage due to its light weight, and its remarkable mechanical and unique …

Density functional theory calculations with dispersion corrections were employed to
investigate the hydrogen (H2) adsorptive properties of siligraphene (SiC8), pristine and …

Motivated by the widespread application and fascinating properties of various silicon-carbon
nanomaterials, we have extensively investigated the properties of tetragonal silicon carbides …

First principles calculations based on density functional theory are carried out to study the
hydrogen storage properties of Li (Ca)-decorated graphene-like monolayer SiC. The present …

Hydrogen storage properties of 10 different adatom decorated silicene are carried out using
density functional theory calculations with long-range van der Waals dispersion correction. It …

By using the first-principles DFT calculations, we design a novel hydrogen storage material,
Li12Si60H60 composite, and validate its geometric stability. It is found that the adsorbed Li …

Surface decoration with alkali metal adatoms has been predicted to be promising for silicene
to obtain high hydrogen storage capacity. Herein, we performed a detailed study of the …

In the present study we report the hydrogen adsorption behavior of two SiC nanostructures;
a planar sheet and a nanotube (10, 0) of 1 nm diameter decorated by Ti atoms on it. All …

The hydrogen storage capacities of K-decorated silicene and silicane are studied using first-
principles calculations. It is found that K atoms can form a uniform and stable coverage on …

Motivated by experimental developments on silicene, we perform first-principles density
functional study on the possibility of hydrogen storage on the Li-decorated silicene. The …