Journal
CHEMICAL PHYSICS LETTERS
Volume 480, Issue 4-6, Pages 203-209Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2009.09.019
Keywords
-
Funding
- European Commission DG Research RTN Marie Curie Actions-Hydrogen [MRTN-CT-2006-032474]
Ask authors/readers for more resources
The ground-state structure of magnesium tetrahydroborate, Mg(BH4)(2), is still under debate. The experimentally and theoretically proposed structures mismatch, and even among the computationally determined structures a disagreement still exists. The main debated question is related to the lattice stability of the proposed structures. We combined several computational methods to build and compute the lowest energy structure. We found that the building motif of the crystalline structure of alkali and earth-alkaline metal tetrahydroborates is dictated by the coordination of metal atom. We report here the case of Mg(BH4)(2). (C) 2009 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available