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1 papers
Lu Y., Zhong H., Li J. et al. · Angewandte Chemie - International Edition · 2022
Reported here: Cu3HHAE2 pore-wall DFT model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Cu3HHAE2 pore-wall DFT model2022 · sp-Carbon Incorporated Conductive Metal-Organic Framework as Photocathode for Photoelectrochemical Hydrogen Generation | section of one full HHAE ligand and three half SBUsCuO4 SBU fragments · HHAE ligand fragment | 2D · Model SystemComputational model cut from the experimentally determined single-crystal structure. | 5 · Theoretical calculation · Figure 5b |