| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384546 | Chemical Physics Letters | 2011 | 7 Pages |
Abstract
⺠Oxygen vacancies are extremely important for the properties of ceria. ⺠This is the first theoretical study on the reduction properties of Cu-doped bulk ceria. ⺠We find that the first oxygen vacancy forms almost spontaneously (Evac almost zero). ⺠We find that Cu also affects - facilitates - the formation of a second O vacancy in the material. ⺠In-depth analysis of the relative importance of three different origins of the lowering Evac.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zhansheng Lu, Zongxian Yang, Bingling He, Christopher Castleton, Kersti Hermansson,