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1 papers
Deng W.-H., Li Q.-H., Chen J. et al. · Angewandte Chemie - International Edition · 2023
Reported here: H2O/H2SO4@(NH2)2-MIL-125 model system
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| H2O/H2SO4@(NH2)2-MIL-125 model system2023 · A Humidity-Induced Large Electronic Conductivity Change of 107 on a Metal-Organic Framework for Highly Sensitive Water Detection | periodic slab model of water adsorbed in H2SO4@(NH2)2-MIL-125Ti-oxo framework nodes in model · diamino-functionalised BDC linkers in model | 3D · Model SystemDFT-D periodic model with H2SO4 and water adsorption sites A1, B1 and C1. | 10 · S2.6 DFT Calculation · Figures S7-S8 |