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...

书目详细资料
主要作者:	Nick Gerrits
格式:	文件
语言:	English
出版:	Frontiers Media S.A. 2024-10-01
丛编:	Frontiers in Chemistry
主题:	heterogeneous catalysis density functional theory surface science dissociative chemisorption methane metal surfaces
在线阅读:	https://www.frontiersin.org/articles/10.3389/fchem.2024.1481235/full

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