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...

Bibliografiset tiedot
Päätekijä:	Nick Gerrits
Aineistotyyppi:	Artikkeli
Kieli:	English
Julkaistu:	Frontiers Media S.A. 2024-10-01
Sarja:	Frontiers in Chemistry
Aiheet:	heterogeneous catalysis density functional theory surface science dissociative chemisorption methane metal surfaces
Linkit:	https://www.frontiersin.org/articles/10.3389/fchem.2024.1481235/full

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