Hydrogen energy has attracted a lot of interest as a renewable and sustainable energy
source, but there are a few technical impediments associated with its storage. Solid-state …

This study utilizes the first-principles modelling approach based on the density functional
theory (DFT) framework to investigate the structural, mechanical, and optoelectronic …

Being a renewable and sustainable energy carrier, hydrogen energy has garnered great
interest having some technical barriers related to storage aspects. Hydride materials exhibit …

In this present work, Density Functional Theory (DFT) calculations have been performed for
perovskite KMg O 3− x H x with the GGA-PBE formalism as implemented in the CASTEP …

The world is facing two major issues: global warming and diminishing non-renewable
energy resources. To overcome these issues, the scientific community is paying more …

In this work, we have employed the first‐principles calculations to investigate the phase
stability and mechanical and optoelectronic characteristics of Hf2AX (A═ Al, Si and X═ C …

In the present work, the density functional theory calculation has been performed for RbMgF
3-x H x with GGA-PBE approximation implemented in CASTEP code. First time the structural …

Recently, hydrogen, a high-energy, non-polluting fuel, has attracted considerable attention.
Perovskites are of great interest in the hydrogen energy field due to their attractive …

Sustainability aspects should be adopted during all the decision-making stages of executing
construction projects to gain maximum benefits without compromising the objective of such …

In recent years, there has been increased interest in hydrogen storage due to the numerous
advantages hydrogen offers as an energy source. This study explores the structural …