Jeong H., Park G., Yi J. et al. · ACS Materials Letters · 2025 · 2056-2062
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.
Ni3HBC exhibits ultralow thermal conductivity for a conductive MOF pellet, about 0.20 W m-1 K-1 at 302 K.
Caveat: Thermal conductivity is approximate and measured on a pellet; zT values are figure-read estimates only.
2059 · Transport properties · Figure 4d; Figure S13 · Linked to 4 structured results
Transport values from the pellet are influenced by grain-boundary resistance.
S5 · Transport measurements · Linked to 2 structured results
Despite ferromagnetic interactions, Ni3HBC shows paramagnetic behaviour without long-range magnetic order.
Caveat: Authors attribute this to inter-nickel distance above 1 nm and nanoscale particle size smaller than Weiss domains.
2059 · Magnetic measurements · Figure S12 · Linked to 2 structured results
Spectroscopy supports octahedral Ni2+ centres in Ni3HBC.
Caveat: EXAFS fitting model includes axial DMF-derived atoms; coordination numbers are model-derived.
2058 · Spectroscopic analyses · Figure 3a-c · Linked to 5 structured results
Ni3HBC is a non-interpenetrated 3D conductive MOF designed to preserve pi-d conjugation while suppressing pi-pi interactions.
Caveat: Structure assignment relies on PXRD refinement and HRTEM/model comparison rather than single-crystal diffraction.
2057 · Introduction/design · Figure 1b · Linked to 3 structured results
EPR and magnetometry indicate semiquinone-based radicals and ferromagnetic interactions with octahedral Ni2+ centres.
Caveat: The authors also report no long-range magnetic order and no hysteresis.
2059 · Magnetic measurements · Figure 3e-f · Linked to 4 structured results
Axial DMF/water coordination on Ni aligns with potential pi-pi interaction directions and suppresses ligand interpenetration through steric hindrance.
Caveat: Mechanistic interpretation is structural/design inference; no direct in situ synthesis mechanism was measured.
2057 · Design strategy · Figure 1b · Linked to 2 structured results
Positive Seebeck coefficient indicates p-type charge carriers in Ni3HBC.
Caveat: Thermopower is from pellet thermoelectric measurement.
2060 · Transport properties · Figure 4c · Linked to 2 structured results
Ni3HBC pellet conductivity increases with temperature and follows Arrhenius behaviour, indicating semiconducting transport.
Caveat: Measured on pressed pellets; grain-boundary resistance may suppress the apparent conductivity.
2059 · Transport properties · Figure 4b · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| HBC ligand reference | 2,3,6,7,10,11,14,15,18,19,22,23-dodecahydroxy-cata-hexabenzocoroneneNone · HBC molecular precursor/reference ligand. | 0D · Model SystemMolecular ligand used as synthetic precursor and FT-IR/Raman/EPR comparison. | S3 · Materials |
| Ni3HBC three-dimensional conductive metal-organic framework | Ni3HBC; elemental-analysis model Ni3HBC.(H2O).(DMF)1.46(H2O)4.96 (C50.38H44.14N1.46Ni3O24.42)Ni2+ ions in octahedral coordination; equatorial HBC catecholate coordination and axial DMF or water coordination. · 2,3,6,7,10,11,14,15,18,19,22,23-dodecahydroxy-cata-hexabenzocoronene (HBC), a contorted D3d-symmetry linker. | 3D · PristineNon-interpenetrated 3D conductive MOF with pi-d conjugation and suppressed pi-pi interactions; space group reported as R3m/R-3m text depending on extraction, with a 1 x 1 x 2 supercell used for Le Bail refinement. | 2056 · Abstract |
| Ni9(HHTP)4 reference MOF | Ni9(HHTP)4Nickel catecholate framework reference with octahedral Ni geometry. · HHTP = 2,3,6,7,10,11-hexahydroxytriphenylene. | 2D · PristineReference conductive nickel-catecholate MOF used for XANES comparison; synthesis follows a reported procedure, not re-reported in detail here. | S3 · Materials |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| HBC ligand spectroscopy referenceresearch_0059__mat__mat_hbc_ligand_reference | Powder · Model System · Model | Precursor/control ligand used in FT-IR, Raman and EPR comparisons. | S7 · Supplemental figures · Figures S1, S2, S11 |
| Ni3HBC powder degassed for nitrogen sorptionresearch_0059__mat__mat_ni3hbc | Powder · Target Sample · Pristine Framework | Degassed under dynamic vacuum at 100 deg C for 12 h before N2 adsorption at 77 K.Oven-dried gas-sorption sample tube with Transeal. | S4 · N2 sorption measurements |
| As-synthesised Ni3HBC greenish-black nanocrystalline powderresearch_0059__mat__mat_ni3hbc | Powder · Target Sample · Pristine Framework | Product collected by centrifugation, washed, solvent-exchanged and vacuum-dried/activated after solvothermal synthesis. | 2057 · Synthesis and characterisation · Figure 1a |
| Ni3HBC on Cu TEM gridresearch_0059__mat__mat_ni3hbc | Powder · Target Sample · Pristine Framework | MOF sonicated in toluene for 10 min and drop-cast onto TEM grids.Cu TEM grid, Ted Pella 400 mesh. | S4 · High-resolution transmission electron microscopy (HRTEM) · Figures 2, S4-S6 |
| Rectangular Ni3HBC pellet for electrical and thermal transportresearch_0059__mat__mat_ni3hbc | Pellet · Target Sample · Pristine Framework | Powder pressed at 3 tons in a 10 mm die for 15 min, cut rectangular, wired and cured at 70 deg C for 5 h in Ar with oxygen below 0.6 ppm.Two copper wires, two T-type thermocouples, silver epoxy contacts, heater and thermoelectric heat-flow devices. · Width 2.22 mm; thickness 0.64 mm; thermocouple separation 1.98 mm. | S5 · Transport measurements · Figure 4a |
| Ni9(HHTP)4 XANES reference sampleresearch_0059__mat__mat_ni9hhtp4_reference | Powder · Pristine Control · Pristine Framework | Prepared according to a reported procedure and used for Ni K-edge XANES comparison.Kapton-sealed powder holder for XAFS. | 2058 · Spectroscopic analyses · Figure 3b |