Huang X., Fu S., Lin C. et al. · Journal of the American Chemical Society · 2023 · 2430-2438
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.
No porosity or electrochemical application measurements are reported for Cu4DHTTB in the assigned main article or SI.
Caveat: Statement is based on reading the assigned main and SI text layers and rendered pages.
SI contents · Contents
The reduced-symmetry 4 + 2 DHTTB ligand drives anisotropic coordination to an orthogonal ribbon-like 3D pi-d conjugated structure, opening a band gap while preserving high-mobility charge-transport paths.
Caveat: The model-system evidence is computational and does not constitute separate synthesised 2D-Cu-DHTTB or 1D-Cu4DHTTB samples.
2433-2435 · Results and Discussion · Figures 2-3; Figure S10 · Linked to 5 structured results
During Cu4DHTTB formation, DHTTB is proposed to be oxidised in situ by Cu(II) to a quinone derivative, while Cu(II) is reduced to Cu(I).
Caveat: The statement is an inferred mechanism from bond lengths, XPS satellite intensity and charge balance rather than a directly time-resolved reaction study.
2433 · Results and Discussion · Figure S8 · Linked to 2 structured results
THz photoconductivity is described by a Drude model with delocalised free carriers, giving high mobility of 88 +/- 15 cm2 V-1 s-1.
Caveat: Film grain boundaries, defects and impurities are stated to limit measured mobility; chemical/electrical passivation may improve it.
2435-2436 · Results and Discussion · Figure 4e,f · Linked to 3 structured results
Cu4DHTTB is assigned as a p-type semiconductor from the positive Seebeck coefficient that increases with temperature.
Caveat: Measured on polycrystalline pellet samples.
2434 · Results and Discussion · Figure 3c · Linked to 2 structured results
Cu4DHTTB is a semiconductor rather than a metal, supported by positive temperature-dependent conductivity, positive photoconductivity, absence of UPS Fermi edge and a calculated non-zero band gap.
Caveat: Pellet activation energy is affected by grain boundaries and possible extrinsic defects.
2435 · Results and Discussion · Figures 3-4 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu3BHT conjugated coordination polymerBrowse family: Cu₃(C₆S₆) / Cu–BHT | Cu3BHT; BHT = benzenehexathiolCopper coordination network based on BHT ligand; cited as metallic Cu3BHT · benzenehexathiol (BHT) | 2D · PristinePreviously reported 2D pi-d conjugated coordination polymer with metallic behaviour, used here as a control/comparator for THz transport. | 2435 · Results and Discussion · Figure 4 |
| Cu4DHTTB conjugated coordination polymer | [Cu4(C6S4O2)]n; SI table reports reduced crystallographic formula Cu2C3S2OCu(I) centres, classified as Cu1 trigonal planar CuS3 and Cu2 distorted tetrahedral CuS2O2 coordination environments · DHTTB = 2,5-dihydroxy-1,3,4,6-tetrathiolbenzene, formally DHTTB4- in the framework | 3D · PristineSingle-crystalline monoclinic P21/n 3D c-CP with orthogonal ribbon-like pi-d conjugated chains and cross-sectional pi-pi stacking. | 2432-2434 · Results and Discussion · Figures 1-2 |
| DHTTB ligand precursor | C6H6O2S4; DHTTB = 2,5-dihydroxy-1,3,4,6-tetrathiolbenzeneOrganic linker used to form Cu4DHTTB | 0D · UnknownMolecular ligand precursor; PXRD-refined crystal structure reported in SI Figure S3. | SI p. 1 · Synthesis methods · Scheme S1 |
| 1D-Cu4DHTTB model | 1D structural motif isolated from bulk Cu4DHTTBCu model nodes from Cu4DHTTB motif · DHTTB-derived motif | 1D · Model SystemComputational reference model mimicking the charge-transport path between adjacent ribbons. | SI p. 9 · Calculation details · Figure S10 |
| 2D-Cu3BHT modelBrowse family: Cu₃(C₆S₆) / Cu–BHT | 2D monolayer Cu3BHT modelCu model nodes · BHT | 2D · Model SystemFully planar 2D monolayer model used to compare metallic band structure. | SI p. 9 · Calculation details · Figure S10 |
| 2D-Cu-DHTTB model | theoretical 2D lattice based on copper ions and DHTTB ligandCu model nodes · DHTTB | 2D · Model SystemFully planar theoretical 2D model used for electronic-structure comparison. | SI p. 9 · Calculation details · Figure S10 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu3BHT thin film on fused silica/SiO2 substrateresearch_0256__mat__cu3bht_framework | Thin Film · Pristine Control · Pristine Framework | BHT-based film prepared by the same toluene/water interfacial reaction method and transferred to substrate.fused silica / SiO2 substrate | 2435 · Results and Discussion · Figure 4 |
| Cu4DHTTB pellet sampleresearch_0256__mat__cu4dhttb_framework | Pellet · Target Sample · Pristine Framework | Cu4DHTTB crystals pressed under 500 MPa into a 2 mm x 5 mm pellet with four evaporated gold electrodes.about 700 um for a 20 mg pellet | SI pp. 4-5 · Electrical property measurement |
| as-synthesised Cu4DHTTB crystals/powderresearch_0256__mat__cu4dhttb_framework | Powder · Target Sample · Pristine Framework | Black powder/crystalline Cu4DHTTB isolated from one-pot aqueous reaction, washed and vacuum dried. | SI p. 2 · Synthesis of Cu4DHTTB |
| Cu4DHTTB thin film on fused silica/SiO2 substrateresearch_0256__mat__cu4dhttb_framework | Thin Film · Target Sample · Pristine Framework | Film prepared by toluene/water interfacial reaction and transferred to quartz/fused silica substrate; rinsed and vacuum dried at 80 C.fused silica / SiO2 substrate | 2435 · Results and Discussion · Figure 4 |
| DHTTB ligandresearch_0256__mat__dhttb_ligand | Powder · Paper Level Unspecified · Unknown | White precipitate collected, washed with cold water and dried under vacuum. | SI p. 2 · Synthesis methods |
| 1D-Cu4DHTTB computational modelresearch_0256__mat__model_1d_cu4dhttb | Model · Model System · Model | DFT model structure isolated from bulk Cu4DHTTB. | SI p. 9 · Calculation details · Figure S10 |
| 2D-Cu3BHT computational modelresearch_0256__mat__model_2d_cu3bht | Model · Model System · Model | DFT model structure. | SI p. 9 · Calculation details · Figure S10 |
| 2D-Cu-DHTTB computational modelresearch_0256__mat__model_2d_cu_dhttb | Model · Model System · Model | DFT model structure. | SI p. 9 · Calculation details · Figure S10 |