The thermodesorption mechanism of ammonia from Ru(0001)
Thermodesorption rates for the desorption of ammonia from Ru(0 0 0 1) are calculated by Transition State Theory including small curvature tunneling corrections. The potential energy surface is derived on a model cluster employing hybrid density functional theory (B3LYP). Two desorption pathways can...
| Главные авторы: | , , |
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| Формат: | Journal article |
| Язык: | English |
| Опубликовано: |
2006
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