Primary study2025
Mixed proton-electron conductivity in a dynamic 3D metal-organic framework
Rambabu D., Goossens T., Bakuru V.R. et al. · Chem · 2025
Reported here: DFT model of Al DOBDP MOF with variable water content
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DFT model of Al DOBDP MOF with variable water content
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2025–2025publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| DFT model of Al DOBDP MOF with variable water content2025 · Mixed proton-electron conductivity in a dynamic 3D metal-organic framework | H12-Al2-(DOBDP)3.xH2O modelAl(III) phosphonate nodes in P-1/P-3c1 model cells · H4-DOBDP2- linker | 3D · Model SystemPBC DFT models for fully hydrated, dehydrated and inserted-water structures. | p019-p027 · DFT Section · Figures S14-S19; Tables S5-S6 |