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how to write reaction mechanism with co-adsorption #108

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mingxia323 opened this issue Jun 27, 2018 · 0 comments
Open

how to write reaction mechanism with co-adsorption #108

mingxia323 opened this issue Jun 27, 2018 · 0 comments

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@mingxia323
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How to write the reaction mechanism in .mkm file if the reaction species are co-adsorbed. For example, for water dissociation forming OH and H on the surface, it has species of adsorbed water (H2O*), the transition state energy (H-OH*), and the adsorbed OH and H together ((H+OH)*) on the surface. The OH and H are co-adsorbed on the same surface. How to write this reaction mechanism?

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