Mechanisms of CO2 reduction into CO and formic acid on Fe (100): a DFT study
Abstract Understanding the mechanism of CO2 reduction on iron is crucial for the design of more efficient and cheaper iron electrocatalyst for CO2 conversion. In the present study, we have employed spin-polarized density functional theory calculations within the generalized gradient approximation (D...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
SpringerOpen
2021-04-01
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| Series: | Materials for Renewable and Sustainable Energy |
| Subjects: | |
| Online Access: | https://doi.org/10.1007/s40243-021-00194-w |