Ideal Site Geometry for Heterogeneous Catalytic Reactions: A DFT Study
Surface geometry at the atomic level is an important factor related to the activity of a catalytic site. It is important to identify sites with high activity to comprehend the performance of a given catalyst. In this work, it is proposed that the optimal surface for a given reaction step should sati...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-12-01
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| Series: | Catalysts |
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| Online Access: | https://www.mdpi.com/2073-4344/14/1/34 |