A first-principles study of the tuning effect of a Fe2O3 cluster on the dehydrogenation properties of a LiBH4 (001) surface-Reference-Cited by-同舟云学术

A first-principles study of the tuning effect of a Fe2O3 cluster on the dehydrogenation properties of a LiBH4 (001) surface

Published:2016 Issue:27 Volume:45 Page:10954-10959
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Liu Chuan¹²³⁴⁵,Huang Shiping¹²³⁴

Affiliation:

1. State Key Laboratory of Organic–Inorganic Composites

2. Beijing University of Chemical Technology

3. Beijing 100029

4. China

5. College of Chemistry and Materials Engineering

Abstract

First-principles calculations were performed to investigate the effects of a Fe₂O₃ cluster on the structural, electronic and dehydrogenation properties of a LiBH₄ (001) surface.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/DT/C6DT01437B

Reference40 articles.

1. Hydrogen-storage materials for mobile applications

2. Study on the dehydrogenation kinetics and thermodynamics of Ca(BH4)2

3. Reversible Hydrogenation Studies of NaBH4 Milled with Ni-Containing Additives

4. Determination of the Phase Behavior of (LiNH2)c(LiBH4)1−c Quaternary Hydrides through in Situ X-ray Diffraction

5. Emerging concepts in solid-state hydrogen storage: the role of nanomaterials design

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