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1 papers
Lv J., Li W., Li J. et al. · Angewandte Chemie - International Edition · 2023
Reported here: monolayer 2D-vc-MOF(Cu) DFT model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| monolayer 2D-vc-MOF(Cu) DFT model2023 · A Triptycene-Based 2D MOF with Vertically Extended Structure for Improving the Electrocatalytic Performance of CO2 to Methane | model of 2D-vc-MOF(Cu)CuO4 model sites · HHTC-derived framework model | 2D · Model SystemMonolayer slab with vacuum in the c direction for CO2RR intermediate optimisation. | 4-5 · The e-CO2RR Mechanism of 2D-vc-MOF(Cu) · Figure 5 |