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

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...

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Bibliografiske detaljer
Andre forfattere:	Reyna Alvarado, Jorge, Ramos Murillo, Manuel Antonio, Pérez-Hernández, Raúl, José, Rodríguez
Format:	Artículo
Sprog:	en_US
Udgivet:	2021
Fag:	Catalysis Methanol steam reforming Energy Hydrogen production info:eu-repo/classification/cti/1
Online adgang:	https://doi.org/10.1016/j.cattod.2021.05.009 https://www.sciencedirect.com/science/article/abs/pii/S0920586121002066
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