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arXiv · 1512.02128

Metalloboranes from first-principles calculations: A candidate for high-density hydrogen storage

A. R. Akbarzadeh·D. Vrinceanu·C. J. Tymczak
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Abstract

Using first principles calculations, we show the high hydrogen storage capacity of a new class of compounds, metalloboranes. Metalloboranes are transition metal (TM) and borane compounds that obey a novel-bonding scheme. We have found that the transition metal atoms can bind up to 10 H2 molecules.

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A. R. Akbarzadeh, D. Vrinceanu, C. J. Tymczak. 2015-12-07. Metalloboranes from first-principles calculations: A candidate for high-density hydrogen storage. https://arxiv.org/abs/1512.02128

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