Structure-dependent vibrational dynamics of Mg(BH4)2 polymorphs probed with neutron vibrational spectroscopy and first-principles calculations-Reference-Cited by-同舟云学术

Structure-dependent vibrational dynamics of Mg(BH4)2 polymorphs probed with neutron vibrational spectroscopy and first-principles calculations

Published:2016 Issue:36 Volume:18 Page:25546-25552
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Dimitrievska Mirjana¹²³⁴⁵,White James L.⁶⁷³,Zhou Wei⁴⁵⁸³,Stavila Vitalie⁶⁷³,Klebanoff Leonard E.⁶⁷³,Udovic Terrence J.⁴⁵⁸³

Affiliation:

1. National Renewable Energy Laboratory (NREL)

2. Golden

3. USA

4. NIST Center for Neutron Research

5. National Institute of Standards and Technology

6. Sandia National Laboratories

7. Livermore

8. Gaithersburg

Abstract

Neutron vibrational spectroscopy and DFT calculations are used in order to gain deeper insights into the structure-dependent vibrational properties of Mg(BH₄)₂ polymorphs.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP04469G

Reference35 articles.

1. Correlation between thermodynamical stabilities of metal borohydrides and cation electronegativites: First-principles calculations and experiments

2. Hydrogen cycling in γ-Mg(BH4)2 with cobalt-based additives

3. Structural Changes Observed during the Reversible Hydrogenation of Mg(BH4)2 with Ni-Based Additives

4. Reversible dehydrogenation of magnesium borohydride to magnesium triborane in the solid state under moderate conditions

5. In Situ Neutron Diffraction Study of the Deuteration of Isotopic Mg11B2

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