A theoretical catalytic mechanism for methanol reforming in CeO2 vs Ni/ CeO2 by energy transition states profiles

We present a theoretical study using Halgren-Lipscomb algorithm assisted by DFT + U to determine the catalytic mechanism for hydrogen production by steam reforming of methanol over CeO2 and Ni/CeO2 model catalytic surfaces. Our main goal is to describe the physical-chemical interaction between nicke...

Full beskrivning

Sparad:
Bibliografiska uppgifter
Övriga upphovsmän: Reyna Alvarado, Jorge, Ramos Murillo, Manuel Antonio, Pérez-Hernández, Raúl, José, Rodríguez
Materialtyp: Artículo
Språk:en_US
Publicerad: 2021
Ämnen:
Länkar:https://doi.org/10.1016/j.cattod.2021.05.009
https://www.sciencedirect.com/science/article/abs/pii/S0920586121002066
Taggar: Lägg till en tagg
Inga taggar, Lägg till första taggen!

Liknande verk