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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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Submitted
01 Jun 2010
Accepted
12 Nov 2010
First published
02 Dec 2010

Dalton Trans., 2011,40, 3796-3798
Article type
Communication

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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