MXene termination and stacking bias on the reverse water gas shift reaction catalysis
Pristine Mo2C MXene has been recently highlighted as a highly active and robust catalyst for the reverse water gas shift (RWGS) reaction. Here, first-principles calculations based on density functional theory (DFT) coupled with mean-field microkinetic (MKM) simulations are performed to investigate t...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-12-01
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| Series: | Materials Today Catalysis |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949754X24000383 |
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