DFT Study of Metal-Hydrogen Systems for Hydrogen Storage

Research outputpeer-review


Hydrogen storage is a key point for the extensive use of hydrogen as an energy carrier. The safest way to store hydrogen is in solid metal hydrides, from which it can be recovered by heating. To be economically feasible the metal or alloy used for hydrogen storage has to exhibit high hydrogen storage capacity, low temperature of the hydrogen release and be low cost. Unfortunately among many metals and alloys reacting with hydrogen there is no such a material that meets all the necessary criteria. Despite low hydrogen sorption kinetics and high stability magnesium is one of the most perspective materials for hydrogen storage. Numerous attempts have been made in order to improve its hydrogen absorbing-desorbing characteristics by alloying with transition metals and their alloys, such as Ti-V-Cr, micro- and nanostructuring and so on. But the fundamental issues of the impact, sometimes rather dramatic, of such modifications of Mg on its stability and hydrogen sorption kinetics are not completely understood. Densi
Original languageEnglish
Title of host publicationAdvances in Materials Science Research
EditorsM.C. Wythers
PublisherNova Science Publishers, Inc.
Number of pages20
ISBN (Print)978-1-63484-484-0
Publication statusPublished - 2016

Fingerprint Dive into the research topics of 'DFT Study of Metal-Hydrogen Systems for Hydrogen Storage'. Together they form a unique fingerprint.

  • Cite this

    Shelyapina, M. (2016). DFT Study of Metal-Hydrogen Systems for Hydrogen Storage. In M. C. Wythers (Ed.), Advances in Materials Science Research (Vol. 23, pp. 185-206). Nova Science Publishers, Inc..