Zhang J., Zhou G., Un H.-I. et al. · Journal of the American Chemical Society · 2023 · 23630-23638
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.
Composite Cu3(HFcHBC)2 electrodes show promising aqueous supercapacitor performance, with 163.3 F g-1 and 97.31% retention after 5000 cycles.
Caveat: Electrochemical data are for a composite electrode with conductive carbon and binder, not a pristine electronic transport sample.
7 · Electrochemistry · Figure S31 · Linked to 4 structured results
Cu3(HFcHBC)2 is assigned as a crystalline porous 2D c-MOF with chemical stability in several common solvents.
Caveat: Chemical stability is inferred from PXRD after 2 d solvent immersion; no long-duration stability extraction beyond that was reported.
4 · Results and Discussion · Figures S14-S16 · Linked to 5 structured results
Grain boundaries are identified as the major hindrance for charge transport in polycrystalline Cu3(HFcHBC)2 films.
Caveat: Inference is based on comparison between single-crystal and film transport rather than direct grain-boundary-resolved transport.
6 · Charge transport properties · Figure S29 · Linked to 4 structured results
The wavy AA-eclipsed 2D honeycomb structure promotes both in-plane and out-of-plane pi conjugation and electronic coupling, supporting efficient charge transport.
Caveat: Transport enhancement is supported by DFT and structural assignment; exact microscopic scattering mechanism remains unresolved.
5 · Electronic band structure · Figure 3 · Linked to 6 structured results
Fluorination lowers the FcHBC core LUMO and increases catechol acidity, promoting more reversible Cu-ligand coordination and high crystallinity.
Caveat: The coordination-reversibility argument is mechanistic interpretation from electronic structure and comparison to nonfluorinated cHBC, not a direct kinetic measurement.
4 · Results and Discussion · Figure 1a · Linked to 4 structured results
Single-crystal Cu3(HFcHBC)2 displays intrinsic metallic or metallic-like transport, whereas the polycrystalline film appears semiconducting because intergrain hopping masks the intrinsic behaviour.
Caveat: The authors note the weakly thermally assisted single-crystal conductivity could arise from stacking faults, impurity scattering or electron-phonon coupling, and they cannot distinguish these mechanisms.
6 · Charge transport properties · Figure 4 · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu3(HFcHBC)2 | C96H24O12F12Cu3Cu catecholate square-planar CuO4 linkages; mixed Cu(II)/Cu(I) indicated by XPS with dominant Cu(II) · 2,3,10,11,18,19-hexafluoro-6,7,14,15,22,23-hexahydroxy core-twisted hexa-cata-hexabenzocoronene (HFcHBC) | 2D · PristineWavy 2D honeycomb lattice with AA-eclipsed stacking; trigonal P-3m1 (No. 164) from cRED/HRTEM/PXRD Pawley fitting. | 1 · Abstract |
| Cu3(HFcHBC)2 composite electrode | Cu3(HFcHBC)2 powder + acetylene black + PVDF on carbon clothCu catecholate nodes in the Cu3(HFcHBC)2 component · HFcHBC in the Cu3(HFcHBC)2 component; PVDF binder in electrode composite | 2D · CompositeApplication electrode composite made from the pristine 2D c-MOF powder. | 5 · Preparation of the Cu3(HFcHBC)2 electrode |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu3(HFcHBC)2 working electrode compositeresearch_0105__mat__cu3_hfchbc2_electrode_composite | Electrode · Composite Sample · Composite | Cu3(HFcHBC)2 powder/acetylene black/PVDF 8:1:1 slurry in acetonitrile coated on carbon cloth and vacuum dried at 80 C overnight.carbon cloth · areal loading 1-2 mg cm-2 | 5 · Preparation of the Cu3(HFcHBC)2 electrode |
| Cu3(HFcHBC)2 polycrystalline filmresearch_0105__mat__cu3_hfchbc2 | Thin Film · Target Sample · Pristine Framework | Liquid-liquid interface film, rinsed with water/DMF/acetone and vacuum dried at 90 C for 24 h.Transferred to Si/SiO2, Si, or quartz depending on measurement · about 82 nm for conductivity film; lateral area about 28 cm2 | 6 · Charge transport properties · Figure 4 |
| DFT model of bulk AA-stacked Cu3(HFcHBC)2research_0105__mat__cu3_hfchbc2 | Model · Model System · Model | Computational model based on experimentally resolved AA-eclipsed stacking structure.bulk layered model | 5 · Electronic band structure · Figure 3c |
| DFT model of monolayer Cu3(HFcHBC)2research_0105__mat__cu3_hfchbc2 | Model · Model System · Model | Computational model based on experimentally resolved structure.monolayer | 5 · Electronic band structure · Figure 3a,b |
| Cu3(HFcHBC)2 powder from collected filmsresearch_0105__mat__cu3_hfchbc2 | Powder · Target Sample · Pristine Framework | Collected from multiple interfacial film syntheses; solvent exchanged with dry acetone for 3 d and vacuum dried. | 6 · Cu3(HFcHBC)2 powder synthesis |
| Isolated Cu3(HFcHBC)2 single crystal deviceresearch_0105__mat__cu3_hfchbc2 | Single Crystal · Target Sample · Pristine Framework | Single crystals isolated from film by ethanol sonication and transferred to Si/SiO2; Pt contacts deposited by focused ion beam under ultrahigh vacuum.Si/SiO2 with FIB-deposited Pt contacts | 6 · Charge transport properties · Figure 4b,c |