DFT Calculation Details
URL: https://drive.google.com/drive/folders/1WKkElScWmmIxkKo8U1VwwpTKbTMd9hzW?usp=sharing
The calculation details (DFT) for obtaining the adsorption energies of Oxygen and Nitrogen atom on the surfaces of metallic/bimetallic compounds.
Source: Catalyst Design in Nitrate Removal
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| Name | DFT Calculation Details |
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