First-principles studies in Mg-based hydrogen storage Materials: A review
Hydrogen storage efficiency is essential for a booming clean hydrogen energy economy. Mg-
based hydrogen storage materials have been intensively investigated due to their …
based hydrogen storage materials have been intensively investigated due to their …
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 …
Effect of nitrogen doping on hydrogen storage capacity of palladium decorated graphene
A high hydrogen storage capacity for palladium decorated nitrogen-doped hydrogen
exfoliated graphene nanocomposite is demonstrated under moderate temperature and …
exfoliated graphene nanocomposite is demonstrated under moderate temperature and …
Investigation of spillover mechanism in palladium decorated hydrogen exfoliated functionalized graphene
Porous activated carbon or nanostructured carbon materials have a promising future as
hydrogen storage media. The hydrogen storage capacity of nanostructured carbon materials …
hydrogen storage media. The hydrogen storage capacity of nanostructured carbon materials …
[HTML][HTML] Location-dependent effect of nickel on hydrogen dissociation and diffusion on Mg (0001) surface: Insights into hydrogen storage material design
Z Han, Y Wu, H Yu, S Zhou - Journal of Magnesium and Alloys, 2022 - Elsevier
Density functional theory (DFT) calculations have been performed to investigate the
hydrogen dissociation and diffusion on Mg (0001) surface with Ni incorporating at various …
hydrogen dissociation and diffusion on Mg (0001) surface with Ni incorporating at various …
Hydrogenation thermodynamics of melt-spun magnesium rich Mg–Ni nanocrystalline alloys with the addition of multiwalled carbon nanotubes and TiF3
X Hou, R Hu, T Zhang, H Kou, J Li - Journal of Power Sources, 2016 - Elsevier
Based on the complexity of hydrogen absorption/desorption process and from the
perspective of overall control, the as-cast Mg-10wt% Ni (Mg10Ni) alloy has been …
perspective of overall control, the as-cast Mg-10wt% Ni (Mg10Ni) alloy has been …
Facilitating de/hydrogenation by long-period stacking ordered structure in Mg based alloys
JW Liu, CC Zou, H Wang, LZ Ouyang, M Zhu - International journal of …, 2013 - Elsevier
We propose a simple strategy to effectively improve the hydrogenation and dehydrogenation
kinetics of Mg based hydrogen storage alloys. We designed and prepared an Mg 91.9 Ni 4.3 …
kinetics of Mg based hydrogen storage alloys. We designed and prepared an Mg 91.9 Ni 4.3 …
Core–shell nanostructured magnesium-based hydrogen storage materials: a critical review
Y Li, Q Zhang, L Ren, Z Li, X Lin, Z Ma… - Industrial Chemistry & …, 2023 - pubs.rsc.org
Hydrogen holds the advantages of high gravimetric energy density and zero emission.
Effective storage and transportation of hydrogen constitute a critical and intermediate link for …
Effective storage and transportation of hydrogen constitute a critical and intermediate link for …
Modeling reaction pathways for hydrogen evolution and water dissociation on magnesium
KS Williams, V Rodriguez-Santiago, JW Andzelm - Electrochimica Acta, 2016 - Elsevier
There are several chemical and electrochemical reactions that occur on a solvated
magnesium surface, many of which contribute to the localized corrosion of magnesium and …
magnesium surface, many of which contribute to the localized corrosion of magnesium and …
First principles modeling of water dissociation on Mg (0001) and development of a Mg surface Pourbaix diagram
KS Williams, JP Labukas… - …, 2015 - meridian.allenpress.com
Density functional theory (DFT) was used to study water dissociation on the Mg (0001)
surface. The metal/water interface was modeled with a supercell approach, consisting of an …
surface. The metal/water interface was modeled with a supercell approach, consisting of an …