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

Autor:	Akbarzadeh, A. R., Vrinceanu, D., Tymczak, C. J.
Rok vydání:	2015
Předmět:	Condensed Matter - Materials Science Physics - Chemical Physics
Druh dokumentu:	Working Paper
Popis:	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. Comment: 7 pages, 5 tables, 6 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1512.02128 Zobrazit plný text záznamu View this record from Arxiv