| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1505156 | Solid State Sciences | 2012 | 5 Pages |
Abstract
⺠Mg3TH7 have desorption energies within range of MgH2 and covalent intermetallic hydrides. ⺠From Bader charges, T = Re compound has a lower desorption energy than T = Mn. ⺠The electronic DOS show insulating compounds with larger band gap for the T = Re. ⺠Chemical bonding analyses: stronger Mn-H bonding versus Re-H with TH6 octahedra.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
S.F. Matar, M. Nakhl, M. Zakhour,