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...
Сохранить в:
| Другие авторы: | , , , |
|---|---|
| Формат: | Artículo |
| Язык: | en_US |
| Опубликовано: |
2021
|
| Предметы: | |
| Online-ссылка: | https://doi.org/10.1016/j.cattod.2021.05.009 https://www.sciencedirect.com/science/article/abs/pii/S0920586121002066 |
| Метки: |
Добавить метку
Нет меток, Требуется 1-ая метка записи!
|
Ваш комментарий будет первым!