Park J., Hinckley A.C., Huang Z. et al. · Journal of the American Chemical Society · 2020 · 20531-20535
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.
Zn-HAB is reported as an intrinsically conductive 3D MOF without added dopants and with thermoelectric response.
Caveat: Thermal conductivity was not measured, so full thermoelectric efficiency was outside the study scope.
3 · Conclusion · Figure 4 · Linked to 3 structured results
Full thermoelectric efficiency was not characterised because thermal conductivity was not measured.
3 · Thermoelectric properties · Linked to 1 structured result
The observed Zn-HAB phase is assigned to a 3D srs topology in a tetragonal I4122 cell, while 2D and mixed-coordination models are ruled out by PXRD and porosity.
Caveat: SI notes high disorder and states that mixed phases with all three srs nets cannot be excluded.
S6-S7 · Structural determination · Table S1; Figures S6-S11 · Linked to 5 structured results
Activation at 80 C decreases BET surface area relative to room-temperature activation, suggesting framework collapse.
Caveat: The SI caption gives the interpretation; detailed collapse mechanism is not established.
S5 · Zn-HAB synthesis and characterizations · Figure S4 · Linked to 2 structured results
Using TEA as base suppresses hydroxide/ZnO impurity formation relative to NH4OH and enables the desired Zn-HAB product.
Caveat: This is based on PXRD comparison and the authors' synthetic rationale; no quantitative impurity fraction is given.
2 · Synthesis discussion · Figure S1
The positive Seebeck coefficient indicates dominant hole carriers in Zn-HAB.
Caveat: Carrier type is inferred from Seebeck sign rather than direct Hall measurement.
3 · Thermoelectric properties · Figure 4b · Linked to 2 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Zn-HAB | C24N24Zn6Zn(II) nodes in tetrahedral coordination to hexaaminobenzene-derived linkers. · Hexaaminobenzene (HAB; used as HAB.3HCl precursor). | 3D · PristineBody-centred tetragonal 3D srs-type semiconductive MOF, space group I4122; some disorder indicated by broad PXRD peaks. | 1 · Abstract |
| Zn-HAB structural models | Modelled Zn-HAB frameworksModelled Zn nodes in tetrahedral, square-planar, or mixed coordination geometries. · Modelled HAB linker. | unknown · Model SystemComputationally evaluated 2D, 3D srs, interpenetrated srs, displaced interpenetrated srs, and mixed-coordination models. | S6 · Structural determination · Figures S6-S11 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Zn-HAB activated at 80 Cresearch_0141__mat__mat_zn_hab | Powder · Target Sample · Pristine Framework | Powder sample activated/dried at 80 C for sorption and PXRD comparison. | S4-S5 · Zn-HAB synthesis and characterizations · Figures S3-S4 |
| Zn-HAB activated at room temperatureresearch_0141__mat__mat_zn_hab | Powder · Target Sample · Pristine Framework | Powder sample dried at the set temperature for 2 h for sorption measurements; Figure S3 labels activated at RT. | S2-S5 · Materials and instrumentation · Figures S3-S4 |
| Zn-HAB drop-cast film on glassresearch_0141__mat__mat_zn_hab | Thin Film · Target Sample · Pristine Framework | As-synthesised powder washed, centrifuged, redispersed in isopropyl alcohol, drop-cast on glass and dried.Glass | S2 · Materials and instrumentation |
| Zn-HAB computational structural model setresearch_0141__mat__mat_zn_hab_models | Model · Model System · Model | DFT and simulated PXRD models; no experimental synthesis route. | S6-S10 · Structural determination · Figures S6-S10 |
| Zn-HAB_NH4OH productresearch_0141__mat__mat_zn_hab | Powder · Target Sample · Unknown | Dark red solids from NH4OH route, washed and dried under vacuum. | 2 · Synthesis discussion · Figure S1 |
| Cold-pressed Zn-HAB pelletresearch_0141__mat__mat_zn_hab | Pellet · Target Sample · Pristine Framework | Zn-HAB pellets cold pressed using commercial pressing equipment.Silicon wafer for conductivity; LakeShore triaxial sample holder for Seebeck · Measured with a micrometer; numeric thickness not reported. | S11 · Electrical measurements |
| Zn-HAB TEA 3 equiv powderresearch_0141__mat__mat_zn_hab | Powder · Target Sample · Pristine Framework | TEA route with 3 equiv base and otherwise unchanged conditions. | S3-S4 · Zn-HAB synthesis and characterizations · Figure S2 |
| Zn-HAB TEA 6 equiv powderresearch_0141__mat__mat_zn_hab | Powder · Target Sample · Pristine Framework | TEA route with 6 equiv base and otherwise unchanged conditions. | S3-S4 · Zn-HAB synthesis and characterizations · Figure S2 |
| Zn-HAB_NEt3 / TEA 9 equiv as-synthesised powderresearch_0141__mat__mat_zn_hab | Powder · Target Sample · Pristine Framework | Dark red solids filtered, washed with water and acetone, and dried under vacuum for 1 h at room temperature. | S3 · Zn-HAB synthesis and characterizations · Figure S1 |