Effect of Fe doping concentration on photocatalytic performance of CeO2 from DFT insight into analysis
A series of CeO2 based materials are analyzed using first-principles calculation. After geometry optimization, the calculated parameter of Ce32O64 is in good agreement with the experimental and theoretical results. The lattice constant of doped materials becomes increasingly smaller with the introdu...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-12-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5124317 |