Todays, environmental impacts as well as depletion of fossil fuels have simulated scientist's
efforts to find alternative, renewable, and neat energy resources. Recently, hydrogen has …

The energetic and climate crises should pose a challenge for scientists in finding solutions
in the field of renewable, green energy sources. Throughout more than two decades, the …

The exploitation of solid hydrogen storage materials is an important part of the large-scale
application of hydrogen energy. However, Metal agglomeration is one of the main reasons …

With the perpetual depletion of non-renewable sources of energy, the need of the hour is to
look for alternative greener sources of energy. Hydrogen has emerged as an efficient, safe …

This article addresses the reversible hydrogen storage capacities of lithium (Li) decorated
and silicon (Si) substituted C 20 fullerene using density functional theory. The stabilities of …

Different sites for K adsorption in γ-graphyne were investigated using density functional
theory (DFT) calculations and optical and structural properties of the structures were …

In this work, we perform density functional theory (DFT) calculations to investigate the
hydrogen adsorption on Pt 4 cluster supported on pristine, B-, and N-doped graphene …

Currently, hydrogen (H) is considered as a promising source of energy for future demands.
Although, significant work is dedicated to the H production, but its storage is still a …

The absence of adequate methods for hydrogen storage has prevented the implementation
of hydrogen as a major source of energy. Graphene-based materials have been considered …

In this study, using the first principles calculation and analysis, we found that the B-doping in
double-vacancy defective graphene could effectively increase the binding energy of Ti …