Research Article
First-Principles Calculation of Conductivity of Ce-C Codoped SnO2 Contacts
Table 1
Lattice constants, cell volumes, and enthalpy change of SnO2 before and after doping.
| Data resource | a (Å) | b (Å) | c (Å) | Cell volume (Å3) | Enthalpy change (eV) |
| This work SnO2 | 4.715 | 4.715 | 3.162 | 70.2951 | −0.3788 | Experiment [29] | 4.737 | 4.737 | 3.186 | 71.4912 | — | Theory [26] | 4.735 | 4.735 | 3.188 | 71.4757 | −0.014 | This work C-SnO2 | 4.894 | 4.894 | 3.272 | 78.3684 | −0.4246 | Experiment [28] | 4.889 | 4.889 | 3.321 | 79.4235 | — | Theory [28] | 4.885 | 4.885 | 3.279 | 78.2475 | — | This work Ce-SnO2 | 4.946 | 4.946 | 3.389 | 82.9048 | −1.7248 | Experiment [30] | 4.937 | 4.937 | 3.436 | 83.7489 | — | Theory [27] | 4.958 | 4.958 | 3.346 | 82.2506 | −3.340 | This work Ce-C-SnO2 | 4.938 | 4.938 | 3.381 | 82.4418 | −2.1465 |
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