Adsorption of oxygenates on copper oxides : a periodic DFT study

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...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Hernández, Diana, Jiménez Orozco, Carlos, Montillo, Sebastian, Montoya, Alejandro
Fformat:	Documento de Conferencia
Iaith:	spa
Cyhoeddwyd:	2021
Mynediad Ar-lein:	http://repositorio.uptc.edu.co/handle/001/6615

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