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Manuscript title: Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction
Journal: Nature Catalysis
Metadata:
| Title: | /benchmark-solvation Cu(100)-3x3-CuOH-1-H2O |
| Authors: | Dattila, Federico |
| Keywords: | Ligands Electrochemistry Electric field Copper Implicit solvation Surface dissolution Electrochemical CO₂ reduction Explicit solvation Bader analysis Heterogeneous catalysis Phenanthroline Surface reconstruction |
| Issue Date: | 17-Jul-2022 |
| Publisher: | Institute of Chemical Research of Catalonia |
| Description: | DFT Energy: CuOH complex on Cu(100)-3x3 with 1 water ligands. |
| URI: | https://iochem-bd.iciq.es/browse/handle/100/41048 |
| Appears in Collections: | Cu-dissolution - DOI: 10.19061/iochem-bd-1-231 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/41048
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