The potential H 2 adsorption/storage performance of the ZnO monolayer decorated with
alkaline or alkaline earth metal atoms was studied using first-principle density functional …

To explore the possibility of hydrogen storage, we conducted dispersion-corrected density
functional theory (DFT-D3) simulations on pristine, defected and metals (including Na and K …

The use of nanomaterials for hydrogen storage could play a very important role in the large-
scale utilization of hydrogen as an energy source. However, nowadays several potential …

In order to research the influence of boron doping on hydrogen storage capacity of Sc 3-(C 6
H 6) 2, we systematically studied the hydrogen storage behavior of sandwich material …

Using first-principles calculations, we explore the potentials of boron hydride (BH) for
hydrogen (H 2) storage. Lithium (Li) and potassium (K) dopants enhance the H 2 storage …

In current decade all countries are going to launch their National Hydrogen Energy Mission
with ambitious targets in the renewable energy sector and the push for hydrogen energy will …

The hydrogen adsorption and storage properties of B x M 2 (M= Y-Mo, Rusingle bondAg, x=
5–8) have been researched in detail. In B 5 M 2 systems, most of compounds can adsorb …

This article illustrates the H 2 trapping potential of Li doped tri heteroatomic six-membered
aromatic Triazine isomers. The Li doped Triazine isomers are stabilized as a cation with …

The hydrogen adsorption properties of Tetrahedral Silsesquioxane Si 4 O 6 H 4 (TS) cages
doped with Be, Li, Sc and Ti atoms are studied in different spin state using density functional …

Abstract Multiple Ti and Li atom doped carbon nanorings are considered for hydrogen
storage using density functional theory for the first time. There are five six membered carbon …