First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111)
Dissociative chemisorption dynamics of polyatomic molecules on surfaces are still challenging to probe quantitatively. Here, the authors report the 9-dimensional quantum dynamics of H2O dissociative chemisorption on Cu(111), with the highest level of accuracy yet seen for this prototypical reaction.
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| Main Authors: | , , , , |
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| Format: | article |
| Language: | EN |
| Published: |
Nature Portfolio
2016
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| Subjects: | |
| Online Access: | https://doaj.org/article/db632f27e2c840aa94894b1593b14fdd |
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