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...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής

Κύριοι συγγραφείς:	Hernández, Diana, Jiménez Orozco, Carlos, Montillo, Sebastian, Montoya, Alejandro
Μορφή:	Documento de Conferencia
Γλώσσα:	spa
Έκδοση:	2021
Διαθέσιμο Online:	http://repositorio.uptc.edu.co/handle/001/6615