Primary study2025
Proton-electron coupling and mixed conductivity in a hydrogen-bonded coordination polymer
Park M., Ju H., Oh J. et al. · Nature Communications · 2025
Reported here: Pristine Ni-BAND computational model
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Pristine Ni-BAND computational model
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2025–2025publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Pristine Ni-BAND computational model2025 · Proton-electron coupling and mixed conductivity in a hydrogen-bonded coordination polymer | {[Ni(bpy)(H2O)2(DMF)2](NO3)2.2DMF}nNi(II) · bpy, DMF, H2O, nitrate | 1D · Model SystemPeriodic DFT model optimised from the SCXRD structure. | 2 · Supplementary Note 1 · Fig. 5e |