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Issue 15, 2011
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Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties

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Abstract

The topological diversity of lithium-boron imidazolates LiB(imid)4 was studied by combining topological enumeration and ab initio DFT calculations. The structures based on zeolitic rho, gme and fau nets are shown to be stable and have high total hydrogen uptake (6.9–7.8 wt.%) comparable with that of MOF-177.

Graphical abstract: Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties

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The article was received on 01 Jun 2010, accepted on 12 Nov 2010 and first published on 02 Dec 2010


Article type: Communication
DOI: 10.1039/C0DT01441A
Citation: Dalton Trans., 2011,40, 3796-3798
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    Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties

    I. A. Baburin, B. Assfour, G. Seifert and S. Leoni, Dalton Trans., 2011, 40, 3796
    DOI: 10.1039/C0DT01441A

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