Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
Identifying active catalysts for the conversion of alcohols into aldehydes or ketones and molecular hydrogen is highly desirable. Here the authors develop and validate against experiments a screening model based on DFT calculations and scaling relationships for identifying alcohol dehydrogenation ca...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-08-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-021-25214-1 |