Hydrogen energy has tremendous potential as a clean fuel in this energy transition. To build
up the full-scale hydrogen energy supply chain, large-scale hydrogen storage is of vital …

As the consumption rate of traditional fossil fuels continues to accelerate and environmental
issues become increasingly severe, energy demand has become an urgent concern. In this …

The high gravimetric density is important for the application of the materials in hydrogen
storage. In this study, a defective penta-BN 2 monolayer structure (P-BN 2) with Li …

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 …

Hydrogen separation through Pd-membrane is one of the most promising technologies to
produce pure H 2. In this study, for the first time, the adsorption of hydrogen on covered Pd …

Based on density functional theory (DFT) calculations, we have comprehensively studied H
2 adsorption behaviors on superalkali NLi 4 decorated γ-graphyne (GY). Our result shows …

This study comprises of a theoretical investigation to evaluate the hydrogen storage
capability of Li-decorated N-doped Aluminium Phosphide (AlP) monolayer using DFT. The …

The rapid advancement of hydrogen storage materials possessing high storage capacity,
long life-cycle, reversibility, and rapid kinetics is a trending issue. Metal decoration of a two …

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 …

Owing to high industrial demand, H 2 stocking display of alkali metals (AMs) including Li,
Na, and K decorated arsenene is investigated utilizing DFT. The structure integrity for Li, Na …