DFT Analysis of NO Adsorption on the Undoped and Ce-Doped LaCoO<sub>3</sub> (011) Surface
Using the density functional theory (DFT) method, we investigated the adsorption of NO on the undoped and Ce-doped LaCoO<sub>3</sub> (011) surface. According to our calculations, the best adsorption site is not changed after Ce doping. When the NO molecule is adsorbed on the perfect LaO-...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-04-01
|
| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/12/9/1379 |