Magnesium hydride (MgH2) is a promising material for solid hydrogen storage due to its
superior hydrogen storage capacity. However, its commercial application is inhibited by the …

Mg-based alloys have great potential for application owing to their high hydrogen storage
capacity but still suffer from too high temperature to absorb/desorb hydrogen due to overly …

The vacancy defect exhibits a remarkable improvement in the dehydriding property of MgH
2@ Ni-CNTs. However, the corresponding mechanism is still not fully understood. Herein …

Focusing towards ternary metal hydrides has recently been regarded as a new avenue for
research in pressure-dependent high-temperature superconductors, thanks highly to a fairly …

Abstract Development of highly effective carbon-based multifunctional catalysts for
improvement of light metal hydrogen storage materials is of great significance. Herein, a …

First-principles-based density functional theory (DFT) calculations were used to explore the
electrochemical CO2 reduction (ECR) activity of cation-doped Bi2O3. We studied the ECR …

Transition metal (TM) catalytic dopants are broadly used in hydrogen storage materials to
increase H2 desorption and absorption kinetics. We have studied H vacancy formation …

The slow hydrogenation kinetics and high reaction temperature of Mg primarily limit its
application for mobile hydrogen storage. H 2 adsorption and dissociation on the pure and …

The impact of boron doping on MgH 2 bonding mechanism, hydrogen diffusion and
desorption was calculated using density functional theory (DFT). Atomic interactions in …

Magnesium nickel hydride (MNH), Mg 2 NiH 4 is a promising material that was shown
enhance the hydrogen storage performance. Also, further modification of such a material …