Due to its high energy density and non-polluting combustion, hydrogen has emerged as one
of the most promising candidates for meeting future energy demands and realising a C-free …

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 …

We have performed DFT simulations to quest for an optimal material for onboard hydrogen
(H 2) storage applications. Using first-principles calculations, we established that the …

For an envisioned hydrogen (H 2) economy, the design of new multifunctional two-
dimensional (2D) materials have been a subject of intense research for the last several …

Many researchers have carried out experimental research and theoretical analysis on
hydrogen storage in carbon nanotubes (CNTs), but the results are very inconsistent. The …

With its remarkable energy density and eco-friendly combustion properties, hydrogen stands
as a beacon of hope in our quest to meet future energy needs while ushering in a cleaner …

The feasibility of using a Li-decorated SiB monolayer for hydrogen (H 2) storage was
evaluated via first-principles calculations. The results showed that a single Li atom anchored …

Exploring efficient storage mediums is the key challenge to accomplish a sustainable
hydrogen economy. Material-based hydrogen (H 2) storage is safe, economically viable and …

We theoretically devised a novel complex by decorating Li atoms on the α-C 3 N 2 for
hydrogen storage, employing first-principles calculations. The findings reveal that: Li can be …

Here through doping Boron element in the aromatic ring of the graphdiyne, we demonstrate
that the preferred adsorption site for Li and Na can be changed effectively. For double side …