Literature DB >> 20963237

Can Na(2)[B(12)H(12)] be a decomposition product of NaBH(4)?

Riccarda Caputo1, Sebastiano Garroni, David Olid, Francesc Teixidor, Santiago Suriñach, Maria Dolors Baró.   

Abstract

We synthesized Na(2)[B(12)H(12)] by a solid state procedure and thermal decomposition of Na[B(3)H(8)], and calculated from a first-principles approach the thermodynamic and structural properties. In particular, the calculated enthalpy of formation of the monoclinic structure, at T = 0 K, of -1086.196 kJ mol(-1) showed that it is a very stable compound. Therefore, in case it were formed during the thermal decomposition of NaBH(4), it would be rather considered a product, which, in addition, prevents the subsequent re-hydrogenation process because of its low reactivity to hydrogen. We reported the isotherms of absorption of H(2), O(2), and H(2)O, calculated both theoretically and experimentally.

Entities:  

Year:  2010        PMID: 20963237     DOI: 10.1039/c0cp00877j

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  3 in total

1.  Mechanisms of partial hydrogen sorption reversibility in a 3NaBH4/ScF3 composite.

Authors:  Ning Zhao; Jianxin Zou; Xiaoqin Zeng; Wenjiang Ding
Journal:  RSC Adv       Date:  2018-03-01       Impact factor: 4.036

2.  Prediction of thermodynamically reversible hydrogen storage reactions utilizing Ca-M(M = Li, Na, K)-B-H systems: a first-principles study.

Authors:  Yajuan Guo; Ying Ren; Haishun Wu; Jianfeng Jia
Journal:  J Mol Model       Date:  2013-10-05       Impact factor: 1.810

Review 3.  Recent advance of metal borohydrides for hydrogen storage.

Authors:  Jianjun Liu; Yong Ma; Jinggang Yang; Lei Sun; Dongliang Guo; Peng Xiao
Journal:  Front Chem       Date:  2022-08-17       Impact factor: 5.545

  3 in total

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