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Improvement of Hydrogen Vacancy Diffusion Kinetics in MgH2 by Niobium- and Zirconium-Doping for Hydrogen Storage Applications
(American Chemical Society, 2016-03)
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 energy in pure, Nb- or Zr- doped bulk magnesium ...
DFT study of the hydrogen adsorption and storage on Ni4 cluster embedded in multivacancy graphene
(Elsevier, 2020-11-06)
Hydrogen adsorption stability, geometry, electronic structure and mechanism has been investigated on Ni4 cluster embedded in graphene with three, four and six vacancies by density functional theory (DFT) calculations. An ...
Designing an Ab2-type alloy (TIZr-CrMNMO) for the hybrid hydrogen storage concept
(Multidisciplinary Digital Publishing Institute, 2020-06)
The hybrid hydrogen storage method consists of the combination of both solid-state metal hydrides and gas hydrogen storage. This method is regarded as a promising trade-off solution between the already developed high-pressure ...
Hydrogen divacancy diffusion: A new perspective on H migration in MgH2 materials for energy storage
(Royal Society of Chemistry, 2016-12-05)
The formation and diffusion of pairs of hydrogen vacancies (divacancies) in magnesium hydride is modeled using density functional theory. Compared to the commonly studied case of single hydrogen vacancies, it is found that ...
Synthesis and characterization of Pt-CMK-3 hybrid nanocomposite for hydrogen storage
(John Wiley & Sons Ltd, 2015-01)
The nanometric carbon CMK-3 modified with Pt was synthesized and applied as a reservoir for hydrogen uptake. We found that the newly synthesized hybrid composites exhibited significantly enhanced H2 storage. The approach ...
Application of hydrides in hydrogen storage and compression: Achievements, outlook and perspectives
(Pergamon-Elsevier Science Ltd, 2019-03)
Metal hydrides are known as a potential efficient, low-risk option for high-density hydrogen storage since the late 1970s. In this paper, the present status and the future perspectives of the use of metal hydrides for ...
Polymer Nanocomposites for Hydrogen Storage
(Amer Inst Physics, 2017)
Hydrogen is considered to be a clean, economical and safe renewable energy source that would be ideal to replace fossil fuels, because it is light, highly abundant and its oxidation product (water) is environmentally benign. ...