Primary study2026
Metal–(organic cocrystal) framework with a photothermal effect boosting the photocatalytic degradation of pollutants
Liu M., Liu K., Yan Z. et al. · Journal of Materials Chemistry A · 2026
Reported here: DFT model of Ca-NDI MOF
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1 papers
Liu M., Liu K., Yan Z. et al. · Journal of Materials Chemistry A · 2026
Reported here: DFT model of Ca-NDI MOF
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| DFT model of Ca-NDI MOF2026 · Metal–(organic cocrystal) framework with a photothermal effect boosting the photocatalytic degradation of pollutants | Model based on Ca-NDI MOF primitive cellModelled Ca-O framework nodes. · Modelled H4BINDI framework linker. | 3D · Model SystemPrimitive-cell DFT model used as the pristine computational control. | SI p.6 · Computational Details |