Water Gas Shift Reaction Activity on Fe (110): A DFT Study
Metal Fe is one of the phases existing on iron-based catalysts for a high-temperature water gas shift reaction (WGSR), but research on the activity of metal Fe in WGSR is almost not reported. In this work, the density functional theory (DFT) method was used to systematically study the reaction activ...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-12-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/12/1/27 |