Hinckley A.C., Park J., Gomes J. et al. · Journal of the American Chemical Society · 2020 · 11123-11130
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
The Co-HAB, Ni-HAB and Cu-HAB samples share the same MOF crystal structures and comparable particle sizes, enabling metal-cation effects to be compared.
Caveat: Main paper states same structure and particle-size comparability; full PXRD pattern matching is shown only graphically in SI.
11123 · Introduction · Linked to 3 structured results
Metal d-orbital occupancy and orientation modulate carrier delocalisation, mobility and air stability in the M-HAB series.
Caveat: The d-orbital argument is a model-supported interpretation, not a directly measured orbital occupancy.
11128 · Conclusion · Figure 3; Table 2 · Linked to 6 structured results
Co-HAB and Cu-HAB exhibit n-type dominated transport under nitrogen and ambient conditions, whereas Ni-HAB switches from n-type in nitrogen to p-type under ambient conditions.
Caveat: Co and Cu ambient/nitrogen Seebeck magnitudes are partly figure-estimated, but the carrier-type claim is stated explicitly in the abstract and conclusion.
11123 · Abstract · Linked to 5 structured results
Temperature-dependent transport in the pressed M-HAB pellets is consistent with thermally activated hopping transport.
Caveat: Ambient Ni-HAB and Cu-HAB are well described by the model only below about 370 K.
11126 · Results and Discussion · Figure 2B · Linked to 6 structured results
Atmospheric oxygen, rather than water alone, is predominantly responsible for ambient changes in Seebeck coefficient and conductivity.
Caveat: Controlled humidity experiment removes atmospheric oxygen but does not independently vary oxygen without water in the same figure.
11127 · Experimental determination of electronic structure · Figure 4 · Linked to 1 structured result
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co-HABBrowse family: Co₃(HAB)₂ / Co–HAB | Co3(hexaaminobenzene)2 / M3(HAB)2 with M = Codivalent cobalt cations · hexaaminobenzene (HAB) | 2D · PristineSquare-planar M-HAB conductive MOF; same crystal packing structure as the Ni and Cu analogues. | 11123 · Introduction · Figure 1A |
| Cu-HABBrowse family: Cu₃(HAB)₂ / Cu–HAB | Cu3(hexaaminobenzene)2 / M3(HAB)2 with M = Cudivalent copper cations · hexaaminobenzene (HAB) | 2D · PristineSquare-planar M-HAB conductive MOF; same crystal packing structure as the Co and Ni analogues. | 11128 · Conclusion |
| Ni-HABBrowse family: Ni₃(HAB)₂ / Ni–HAB | Ni3(hexaaminobenzene)2 / M3(HAB)2 with M = Nidivalent nickel cations · hexaaminobenzene (HAB) | 2D · PristineSquare-planar M-HAB conductive MOF; same crystal packing structure as the Co and Cu analogues. | 11123 · Introduction · Figure 1A |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Co-HAB DFT modelresearch_0495__mat__mat_co_hab | Model · Model System · Model | 39-atom periodic hexagonal model cell; DFT+U and fragment charge-transfer calculations | S5 · Computational details |
| Co-HAB pressed-powder pelletresearch_0495__mat__mat_co_hab | Pellet · Target Sample · Pristine Framework | black powder cold pressed into pellet; measured under nitrogen, ambient air and controlled humiditysilicon wafer with double-sided polyimide tape for conductivity device · pellet thickness measured with a micrometer; numeric value not reported | S3 · Electrical conductivity measurement · Scheme 1 |
| Cu-HAB DFT modelresearch_0495__mat__mat_cu_hab | Model · Model System · Model | 39-atom periodic hexagonal model cell; DFT+U and fragment charge-transfer calculations | S5 · Computational details |
| Cu-HAB pressed-powder pelletresearch_0495__mat__mat_cu_hab | Pellet · Target Sample · Pristine Framework | dark-blue powder cold pressed into pellet; measured under nitrogen, ambient air and controlled humiditysilicon wafer with double-sided polyimide tape for conductivity device · pellet thickness measured with a micrometer; numeric value not reported | 11124 · Results and Discussion · Figure 1B,C |
| Ni-HAB DFT modelresearch_0495__mat__mat_ni_hab | Model · Model System · Model | 39-atom periodic hexagonal model cell; DFT+U and fragment charge-transfer calculations | S5 · Computational details |
| Ni-HAB pressed-powder pelletresearch_0495__mat__mat_ni_hab | Pellet · Target Sample · Pristine Framework | black powder cold pressed into pellet; measured under nitrogen, ambient air and controlled humiditysilicon wafer with double-sided polyimide tape for conductivity device · pellet thickness measured with a micrometer; numeric value not reported | 11124 · Results and Discussion · Figure 1B,C |