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1 papers
Yi J.-D., Xie R., Xie Z.-L. et al. · Angewandte Chemie - International Edition · 2020
Reported here: Cu2O@HHTP(111) slab model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Cu2O@HHTP(111) slab model2020 · Highly Selective CO2 Electroreduction to CH4 by In Situ Generated Cu2O Single-Type Sites on a Conductive MOF: Stabilizing Key Intermediates with Hydrogen Bonding | Cu2O/HHTP modelCu2O(111) surface with HHTP hydroxyl groups nearby · HHTP model ligand | 2D · Model SystemDFT model chosen instead of Cu2O/CuHHTP because Cu2O and CuHHTP repeat units are not commensurable. | p020 / SI p19 · Computational methods · Figure S22; Table S2 |