Primary study2026
Activating a Metallization Switch for Record Hydrogen Evolution in Single-Atom Modified Polar MOF Piezocatalysts
Hao C., Guan X., Wu Y. et al. · Advanced Materials · 2026
Reported here: Ni SAs@UiO-66-NH2-H model
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Ni SAs@UiO-66-NH2-H model
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2026–2026publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Ni SAs@UiO-66-NH2-H model2026 · Activating a Metallization Switch for Record Hydrogen Evolution in Single-Atom Modified Polar MOF Piezocatalysts | Hydrogen-adsorbed Ni SAs@UiO-66-NH2 computational modelHf6O4(OH)4 clusters plus Ni-N sites with adsorbed H · 2-amino-1,4-benzenedicarboxylate (NH2-BDC) | 3D · Model SystemDFT/AIMD model used to study pressure-dependent band reconstruction and semiconductor-to-metal transition after H adsorption. | SI text lines 117-132 · Supplementary Figures · Figures S22-S26 |