The hydrogen storage properties of an alkali metal (Li, Na, K) or alkaline earth metal (Be,
Mg, Ca) decorated Si 2 BN monolayer were studied based on first-principles calculations …

MgH2 is considered as a promising hydrogen storage material for its high hydrogen storage
capacity, low cost and abundant resource advantages. However, the low kinetics and high …

Abstract Two-dimensional (2D) materials have recently attracted much attention in the field
of hydrogen storage, owing to their beneficial properties such as high surface-to-volume …

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 …

First-principles density functional theory (DFT) calculations were conducted to investigate
the feasibility of single-atom Y decoration on the C 3 N monolayer and its consequent …

The synthesized carbon-based biphenylene materials have contributed to the recent
increase in interest in inorganic biphenylene counterpart. It is expected that the inorganic …

The potential for decorating single Li, Na, or K atoms onto BeS monolayers and their
subsequent hydrogen storage performance were investigated using first-principle density …

Hydrogen storage is a major challenge for the development of hydrogen energy technology,
and this has inspired the search for novel materials with high storage capacity and …

Due to a series of problems caused by the energy crisis, the development of safe and
efficient new hydrogen storage materials has become the top priority of current research. In …

The stabilities, electronic properties, and reactivities of hydrogen interactions with Cu-, Ag-,
and Au-decorated aluminum nanotubes (AlNNT), H2-AlNNT, H2-Ag@ AlNNT, H2-Au …