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Issue 95, 2014
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Additives in protic–hydridic hydrogen storage compounds: a molecular study

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Abstract

Here we have studied the dehydrogenation energetics of protic–hydridic based hydrogen storage compounds. Various set of compounds are studied having different ratio of protic and hydridic hydrogens. Moreover, protic–hydridic based chemical additives (NH3, BH3 and NH3BH3) are added to protic–hydridic based hydrogen storage compounds to increase their hydrogen gravimetric density. Our study shows such chemical additives not only increase their hydrogen gravimetric density but also improve their dehydrogenation properties. Such practice turned out to be excellent as we not only generated some model compounds [LiBH2NH3Eavg = 3.47 eV), LiNH2BH3·BH3Eavg = 3.75 eV), LiBH2NH3·BH3Eavg = 3.95 eV] but also compounds like LiNH2BH3:NH3BH3Eavg = 3.85 eV), which has already been reported to be a promising hydrogen storage material. We find the dehydrogenation properties of the reported compounds are best when they have close to equal numbers of protic and hydridic hydrogens.

Graphical abstract: Additives in protic–hydridic hydrogen storage compounds: a molecular study

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Publication details

The article was received on 04 Sep 2014, accepted on 09 Oct 2014 and first published on 10 Oct 2014


Article type: Paper
DOI: 10.1039/C4RA09778E
Author version available: Download Author version (PDF)
Citation: RSC Adv., 2014,4, 52785-52795
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    Additives in protic–hydridic hydrogen storage compounds: a molecular study

    I. Choudhuri, A. Mahata and B. Pathak, RSC Adv., 2014, 4, 52785
    DOI: 10.1039/C4RA09778E

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