| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7761266 | Journal of Solid State Chemistry | 2012 | 5 Pages |
Abstract
⺠Li2ZrN2 calculated insulating with a 1.8 eV gap in agreement with its light green color. ⺠Lithium de-intercalation is energetically favored for one out of two Li equivalents. ⺠Li plays little role in the change of the structure, ensured by Zr and N binding. ⺠Similar changes in the electronic structure as for various intercalated phases of ZrN.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
S.F. Matar, R. Pöttgen, A.F. Al Alam, N. Ouaini,