Adsorption of oxygenates on copper oxides : a periodic DFT study
A Hubbard parameter of 7 eV correctly describes the oxidation enthalpy and band gap of CuO.Methylglyoxal can be chemisorbed and activated over the CuO(111) surface to finally achieve lactic acid. A study of the adsorption modes of glycerol and lactic acid is needed before starting the reactionmechan...
| Main Authors: | , , , |
|---|---|
| Format: | Documento de Conferencia |
| Sprog: | spa |
| Udgivet: |
2021
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| Online adgang: | http://repositorio.uptc.edu.co/handle/001/6615 |
