| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1861070 | Physics Letters A | 2011 | 5 Pages |
Abstract
The structures of LiTiPO5 and LiTi2(PO4)3, as well as the possibility of oxygen vacancies formation in the systems are studied by first-principles calculations. It is found that oxygen vacancies can be formed in LiTiPO5 and LiTi2(PO4)3 under oxygen poor condition. The formation of oxygen vacancies introduce a defect band within their band gaps, which is expected to improve the electronic conductivity of LiTiPO5 and LiTi2(PO4)3 significantly. Meanwhile, a great concentration of oxygen vacancies may increase the discharge voltage of LiTiPO5 and LiTi2(PO4)3.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Li-Juan Chen, Yu-Jun Zhao, Jia-Yan Luo, Yong-Yao Xia,