How to simulate dissociative chemisorption of methane on metal surfaces

How to simulate dissociative chemisorption of methane on metal surfaces

The dissociation of methane is not only an important reaction step in catalytic processes, but also of fundamental interest. Dynamical effects during the dissociative chemisorption of methane on metal surfaces cause significant differences in computed reaction rates, compared to what is predicted by...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριος συγγραφέας:	Nick Gerrits
Μορφή:	Άρθρο
Γλώσσα:	English
Έκδοση:	Frontiers Media S.A. 2024-10-01
Σειρά:	Frontiers in Chemistry
Θέματα:	heterogeneous catalysis density functional theory surface science dissociative chemisorption methane metal surfaces
Διαθέσιμο Online:	https://www.frontiersin.org/articles/10.3389/fchem.2024.1481235/full

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