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...
Gorde:
| Beste egile batzuk: | , , , |
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| Formatua: | Artículo |
| Hizkuntza: | en_US |
| Argitaratua: |
2021
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| Gaiak: | |
| Sarrera elektronikoa: | https://doi.org/10.1016/j.cattod.2021.05.009 https://www.sciencedirect.com/science/article/abs/pii/S0920586121002066 |
| Etiketak: |
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