The importance of vibrations in modelling complex metal hydrides
-
Altmetric Citations
Description
Crystalline materials have zero point energy (ZPE) associated with phonon vibrations. This ZPE not only significantly alters the energetics of reactions involving complex metal hydrides, but also alters the equilibrium structure of these materials as determined by first principles calculations. This paper focuses on the structural effect of ZPE in the potential hydrogen storage material LiBH4.
Collections | ANU Research Publications |
---|---|
Date published: | 2007 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/56616 |
Source: | Journal of Alloys and Compounds |
DOI: | 10.1016/j.jallcom.2007.01.050 |
Download
File | Description | Size | Format | Image |
---|---|---|---|---|
01_Frankcombe_The_importance_of_vibrations_2007.pdf | 213.49 kB | Adobe PDF | Request a copy |
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.
Updated: 19 May 2020/ Responsible Officer: University Librarian/ Page Contact: Library Systems & Web Coordinator