DFT Studies of the Adsorption of Propane and Propene on Metallic Surfaces in Ag/ZrO<sub>2</sub> Catalysts as a Model for Catalytic Combustion Reactions of Light Hydrocarbons
Molecular modelling studies were carried out at the DFT level of the adsorption of propane and propene on Ag surfaces as a model of the interaction of light hydrocarbons with Ag/ZrO<sub>2</sub> catalysts for catalytic combustion reactions. It was found that the most stable mode of adsorp...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-07-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/13/7/1068 |