Diabetes is a health disorder that necessitates constant blood glucose monitoring. The
industry is always interested in creating novel glucose sensor devices because of the great …

Various technologies have been developed for the safe and efficient storage of hydrogen.
Hydrogen storage in its solid form is an attractive option to overcome challenges such as …

The adsorption performance of hydrogen molecules over the transition metals (TM= Os, Ru,
and Fe)-embedded graphitic carbon nitride (gCN) and also the binding energy of these TM …

The adsorption of hydrogen (H 2) molecules on MoS 2 monolayers doped with Fe, Co, Ni,
Ru, Rh, Pd, Os, Ir or Pt was calculated via first-principle density functional theory (DFT). The …

There is a great interest in the design of innovative concepts and strategies of nitrogen rich
carboneous materials for exploring their hydrogen (H 2) storage properties. Methane (CH 4) …

Pristine graphene is not suitable for hydrogen storage at ambient conditions since it binds
the hydrogen molecules only by van der Waals interactions. However, the adsorption energy …

The first-principle DFT calculation was applied to study hydrogen adsorption performances
of pure TaSe 2 and that doped with light metals (Li, Na and K). Li, Na or K could successfully …

Physisorption is the general dominating adsorption mode on pure carbonaceous materials.
In this study, we examined if chemisorbed hydrogen can be accomplished without …

Abstract DFT (Density Functional Theory) calculations were carried out to evaluate the
chemical interaction of CO (carbon monoxide) and NO (nitrogen monoxide) molecules onto …

Density functional theory was used to study carbon monoxide adsorption on several
graphene-based surfaces. The surfaces were based on oxygen ions adsorbed (and without …