Primary study2020
Efficient and tunable one-dimensional charge transport in layered lanthanide metal–organic frameworks
Skorupskii G., Trump B.A., Kasel T.W. et al. · Nature Chemistry · 2020
Reported here: LaHHTP linker-vacancy computational model
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LaHHTP linker-vacancy computational model
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2020–2020publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| LaHHTP linker-vacancy computational model2020 · Efficient and tunable one-dimensional charge transport in layered lanthanide metal–organic frameworks | LaHHTP with a Frenkel-type missing-linker defectLaHHTP framework with terminal oxygens protonated after linker removal. · HHTP linkers with one linker removed in the model cell. | 3D · Model SystemDefect model used to rationalise sub-bandgap optical absorption and localised electronic states. | SI p.10 · DFT investigation of defective LaHHTP · Supplementary Figs. 47-48 |