Hydrogen Diffusion on, into and in Magnesium Probed by DFT: A Review
MG Shelyapina - Hydrogen, 2022 - mdpi.com
Hydrogen is an energy carrier that can be a sustainable solution for alternative energy with
zero greenhouse gas emissions. Hydrogen storage is a key point for hydrogen energy …
zero greenhouse gas emissions. Hydrogen storage is a key point for hydrogen energy …
MgScH15: a highly stable cluster for hydrogen storage
H Chen, H Liang, W Dai, C Lu, K Ding, J Bi… - International Journal of …, 2020 - Elsevier
Mg-Sc-H systems exhibit superior stability and high hydrogen storage capacity among the
large class of magnesium-based hydrogen storage materials, but the underlying …
large class of magnesium-based hydrogen storage materials, but the underlying …
Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides
This review deals with the destabilization methods for improvement of storage properties of
metal hydrides. Both theoretical and experimental approaches were used to point out the …
metal hydrides. Both theoretical and experimental approaches were used to point out the …
Polymer-stable magnesium nanocomposites prepared by laser ablation for efficient hydrogen storage
Hydrogen is a promising alternative energy carrier that can potentially facilitate the transition
from fossil fuels to sources of clean energy because of its prominent advantages such as …
from fossil fuels to sources of clean energy because of its prominent advantages such as …
Influence of 3d transition metals on the stability and electronic structure of MgH2
XQ Zeng, LF Cheng, JX Zou, WJ Ding… - Journal of Applied …, 2012 - pubs.aip.org
The effect of minor addition of 3d transition metals on the formation enthalpy (△ H) and
electronic structure of MgH 2 have been studied using first-principle calculations, and …
electronic structure of MgH 2 have been studied using first-principle calculations, and …
DFT calculations of hydrogen diffusion and phase transformations in magnesium
K Klyukin, MG Shelyapina, D Fruchart - Journal of Alloys and Compounds, 2015 - Elsevier
To describe microscopic hydrogen migration processes and steps of hydride formation we
have carried out a theoretical study of the hydrogen diffusion in hexagonal closed packed …
have carried out a theoretical study of the hydrogen diffusion in hexagonal closed packed …
Metal hydrides for energy storage
MG Shelyapina - Handbook of ecomaterials, 2019 - elibrary.ru
Problem of hydrogen storage is a key point for the extensive use of hydrogen as an energy
carrier. Metal hydrides provide a safe and very often reversible way to store energy that can …
carrier. Metal hydrides provide a safe and very often reversible way to store energy that can …
The effects and mechanisms of two-dimensional V2C and V2CT2 (T= O, F, and OH) on hydrogen adsorption and dissociation properties of MgH2: First-principles …
J Chen, Z Wang, Z Meng, Z Lan, H Liu, H Ning… - International Journal of …, 2024 - Elsevier
Two-dimensional vanadium carbide (V 2 C) MXene has been confirmed the excellent
catalytic activity on hydrogen storage of magnesium hydride (MgH 2) in experimental. In …
catalytic activity on hydrogen storage of magnesium hydride (MgH 2) in experimental. In …
Hydrogen-sorption properties of magnesium and its intermetallics with Ca7Ge-Type structure
ZA Matysina, SY Zaginaichenko, DV Shchur - The Physics of Metals and …, 2013 - Springer
The statistical theory of the hydrogenation of magnesium and its alloys Mg 6 M′ M ″(with
M′= Mg, Ti, V, Nb, Zr; M ″= Mg, Al, Zn) has been developed. The energies of crystals have …
M′= Mg, Ti, V, Nb, Zr; M ″= Mg, Al, Zn) has been developed. The energies of crystals have …
Role of transition elements in stability of magnesium hydride: A review of theoretical studies
MG Shelyapina, D Fruchart - Solid State Phenomena, 2011 - Trans Tech Publ
During the last decades hydrogen has attracted worldwide attention as an energy carrier.
MgH2 is one of the most promising materials for hydrogen storage due to its high hydrogen …
MgH2 is one of the most promising materials for hydrogen storage due to its high hydrogen …