Cu/O Frustrated Lewis Pairs on Cu Doped CeO<sub>2</sub>(111) for Acetylene Hydrogenation: A First-Principles Study
In this work, the H<sub>2</sub> dissociation and acetylene hydrogenation on Cu doped CeO<sub>2</sub>(111) were studied using density functional theory calculations. The results indicated that Cu doping promotes the formation of oxygen vacancy (O<sub>v</sub>) which...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-01-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/12/1/74 |