Jump to main content
Jump to site search

Issue 1, 2011
Previous Article Next Article

Local defects enhanced dehydrogenation kinetics of the NaBH4-added Li–Mg–N–H system

Author affiliations

Abstract

A mechanistic understanding on the enhanced kinetics of hydrogen storage in the NaBH4-added Mg(NH2)2-2LiH system is provided by carrying out experimental investigations associated with first-principles calculations. It is found that the operating temperatures for hydrogen desorption of the Mg(NH2)2-2LiH system are reduced by introducing NaBH4, and the NaBH4 species seems almost unchanged during dehydrogenation/hydrogenation process. First-principles calculations reveal that the presence of NaBH4 in the Mg(NH2)2-2LiH system facilitates the formation of Mg vacancies in Mg(NH2)2. The appearance of Mg vacancies not only weakens the N–H bonds but also promotes the diffusion of atoms and/or ions, consequently resulting in the improvement of the reaction kinetics of hydrogen desorption/absorption of the NaBH4-added Mg(NH2)2-2LiH system. This finding provides us with a deep insight into the role played by NaBH4 in the Li–Mg–N–H system, as well as ideas for designing high-performance catalysts for metal–N–H-based hydrogen storage media.

Graphical abstract: Local defects enhanced dehydrogenation kinetics of the NaBH4-added Li–Mg–N–H system

Back to tab navigation

Publication details

The article was received on 26 Apr 2010, accepted on 14 Sep 2010 and first published on 28 Oct 2010


Article type: Paper
DOI: 10.1039/C0CP00340A
Citation: Phys. Chem. Chem. Phys., 2011,13, 314-321
  •   Request permissions

    Local defects enhanced dehydrogenation kinetics of the NaBH4-added Li–Mg–N–H system

    C. Liang, Y. Liu, Y. Jiang, Z. Wei, M. Gao, H. Pan and Q. Wang, Phys. Chem. Chem. Phys., 2011, 13, 314
    DOI: 10.1039/C0CP00340A

Search articles by author

Spotlight

Advertisements