Meng Z., Mirica K.A. · Nano Research · 2021 · 369-375
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.
Cu3(HHTN)2 is a new d-pi conjugated 2D conductive/semiconductive MOF that extends this family into the mesoporous regime.
Caveat: Conductivity is low to moderate relative to smaller-pore HHB/HHTP analogues.
5 · 3 Conclusions · Linked to 3 structured results
New PXRD peaks and I 3d XPS signals after iodine treatment are interpreted as regular iodine-related structures, such as I3- chains, inside Cu3(HHTN)2 channels.
Caveat: The presence of I3- chains is inferred from PXRD peak differences and XPS binding energies, not directly imaged.
16-17 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S28-S30 · Linked to 3 structured results
PXRD and computational energy-surface analysis support a slipped-parallel packing model for Cu3(HHTN)2.
Caveat: Assignment is based on powder diffraction and modelling rather than single-crystal diffraction.
2-3 · 2.2 Structural characterization · Fig. 2 · Linked to 3 structured results
Compared with Cu3(HHTP)2 and Cu3(HHB)2, Cu3(HHTN)2 has lower conductivity and wider band gap, attributed to weaker orbital interaction and larger void space that is less favourable for in-plane charge transport.
Caveat: The explanation includes possible alternative contributions from ligand or metal oxidation state.
4-5 · 2.5 Electronic properties and tunability · Linked to 3 structured results
The authors infer that the temperature dependence of band gap is mainly caused by intrinsic changes in the charge-transport barrier rather than dominant grain-boundary effects.
Caveat: This is an inference from agreement between optical and room-temperature thermal band gaps; it is not directly separated by single-crystal or contact-independent transport.
4 · 2.5 Electronic properties and tunability · Fig. 4 · Linked to 2 structured results
Oxidative iodine doping greatly increases conductance and suggests p-type semiconductive character of Cu3(HHTN)2.
Caveat: Device result is a current/conductance response under iodine exposure, not a full absolute doped-film conductivity measurement.
5 · 2.5 Electronic properties and tunability · Fig. 4d, Fig. S30-S31 · Linked to 3 structured results
Cu3(HHTN)2 shows thermally activated conductivity with two Arrhenius regimes and a temperature-dependent band gap.
Caveat: Two-contact bulk pellet measurements include possible grain-boundary and contact contributions.
4 · 2.5 Electronic properties and tunability · Fig. 4b-c · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu3(HHTN)2 MOF | Cu3(HHTN)2Cu ions; Cu in mixed Cu(I)/Cu(II) state by XPS · 2,3,8,9,14,15-hexahydroxytrinaphthylene (HHTN) | 2D · Pristined-pi conjugated 2D Kagome/hexagonal lattice; slipped-parallel packing assigned by PXRD and modelling | 1 · Abstract |
| I2-doped Cu3(HHTN)2 MOF | I2-doped Cu3(HHTN)2; I3- anions inferredCu nodes oxidised relative to pristine material; XPS Cu(II):Cu(I) about 9:1 · HHTN linker, partially oxidised under iodine treatment | 2D · UnknownIodine-treated derivative retaining [100] and [200] PXRD peaks of crystalline Cu3(HHTN)2 | 5 · 2.5 Electronic properties and tunability · Fig. S30, Fig. S31 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| activated Cu3(HHTN)2 for N2 sorptionresearch_0022__mat__cu3_hhtn2 | Powder · Target Sample · Pristine Framework | Acetone exchange for 2 days, supercritical CO2 drying, then vacuum degassing at 70 °C for 18 h. | 13 · S9 Brunauer-Emmett-Teller (BET) Analysis · Fig. S24 |
| Cu3(HHTN)2 drop-cast resistor deviceresearch_0022__mat__cu3_hhtn2 | Thin Film · Target Sample · Pristine Framework | 2 mg/mL Cu3(HHTN)2 suspension in water drop cast onto interdigitated Au electrode device; measured under 4.0 V bias.glass device with interdigitated gold electrodes | 18 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S33 |
| computational Cu3(HHTN)2 structural modelsresearch_0022__mat__cu3_hhtn2 | Model · Model System · Model | Fully eclipsed, slipped-parallel and staggered structural models built and optimised/computed. | 8 · S5 Structure Analysis by Computational Study and Powder X-ray Diffraction · Fig. S11-S17 |
| pressed Cu3(HHTN)2 pelletresearch_0022__mat__cu3_hhtn2 | Pellet · Target Sample · Pristine Framework | ~45 mg MOF pressed in 6 mm die for 5 min at approximately 1000 psi.0.091 cm in SI conductivity equation; main text says ~1 mm | 14 · S10 Measurement of Conductivity · Fig. S25 |
| as-synthesised Cu3(HHTN)2 dark brown powderresearch_0022__mat__cu3_hhtn2 | Powder · Target Sample · Pristine Framework | Filtered, washed with water and acetone, oil-pump dried at room temperature for 1 day; used for PXRD, FTIR, XPS, UV-vis-NIR and elemental analysis. | 6 · S2.2 Synthesis of Cu3(HHTN)2 MOF · Table S1 |
| iodine-doped Cu3(HHTN)2 powderresearch_0022__mat__i2_cu3_hhtn2 | Powder · Target Sample · Doped | Cu3(HHTN)2 powder heated with I2 in sealed vial at 40 °C for 12 h, acetone washed until colourless, then oil-pump dried. | 16 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S28 |