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Referenced by:
Manuscript title: Active and Selective Ensembles in Oxide-Derived Copper Catalysts for CO2 Reduction
Metadata:
Title: | U-Cu₂O-PBE+U-2-0-11-e⁻ |
Authors: | Dattila, Federico |
Issue Date: | 5-May-2020 |
Publisher: | Institute of Chemical Research of Catalonia |
Description: | Benchmark tests for Cu₂O formation; PBE + U (Ueff = 2.0 eV); 11 valence electrons. |
URI: | https://iochem-bd.iciq.es/browse/handle/100/24709 |
Appears in Collections: | redCO2_OD-Cu - DOI: 10.19061/iochem-bd-1-165 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/24709