Zhang S., Zhang W., Yadav A. et al. · Advanced Electronic Materials · 2025 · e00319
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.
Although DFT predicts intrinsic metallic behaviour for both AA and AB CDL-MOF1 models, pressed pellets show thermally activated semiconducting transport, attributed to grain-boundary resistance between randomly aligned microcrystallites.
Caveat: The grain-boundary explanation is an author interpretation.
p006 / article p.6 · Results and Discussion · Figure 6 · Linked to 4 structured results
The experimental CDL-MOF1 c parameter of 3.16 A is consistent with AA stacking rather than AB stacking, for which the authors expect a 6.32 A c parameter.
Caveat: The paper states CDL-MOF1 can stack either AA or AB; the reported refined c parameter supports AA but does not appear to come from direct single-crystal structural solution.
p004 / article p.4 · Results and Discussion · Figure 2b · Linked to 1 structured result
CDL-MOF1 is a phase-pure hexagonal 2D Cu3(HHTP)(HHTQ) framework containing HHTP and HHTQ in a 1:1 molar ratio.
Caveat: The specific stacking assignment is based on Pawley refinement and comparison with model c parameters rather than single-crystal diffraction.
p002-p004 / article pp.2-4 · Results and Discussion · Figures 1-3 · Linked to 3 structured results
CDL-MOF1 has higher room-temperature bulk/pellet conductivity than both parent single-ligand MOFs under the reported two-probe conditions.
Caveat: SI Table S1 lists 0.17 S/m for CDL-MOF1 while the main text/Figure 5a list 0.12 S/m highest and 0.11 +/- 0.01 S/m average.
p005 / article p.5 · Results and Discussion · Figure 5a · Linked to 6 structured results
Ethylenediamine modulator balances disparate HHTP/HHTQ reactivities and helps produce phase-pure CDL-MOF1 by making MOF formation reversible and self-rectifying.
Caveat: This is a mechanistic rationale based on synthesis comparison, not a quantified kinetic study.
p003 / article p.3 · Results and Discussion · Linked to 2 structured results
The heteroleptic HHTP-Cu-HHTQ network promotes in-plane push-pull through-bond transport while parallel or alternating donor/acceptor stacks support out-of-plane transport.
Caveat: Transport-pathway assignment is mechanistic interpretation supported by DFT and conductivity comparison, not by direct directional single-crystal conductivity measurements.
p006 / article p.6 · Conclusion · Scheme 1; Figure 6 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| CDL-MOF1 / Cu3(HHTP)(HHTQ) | Cu3(HHTP)(HHTQ)Square-planar Cu(II) nodes / CuO4 coordination nodes · Hexahydroxytriphenylene (HHTP; pi-donor) and 2,3,7,8,12,13-hexahydroxytricycloquinazoline (HHTQ; pi-acceptor) | 2D · PristinePhase-pure hexagonal 2D graphitic dual-ligand MOF; Pawley fitting supports AA stacking with a = b = 24.09 A and c = 3.16 A. | p002-p003 / article pp.2-3 · Results and Discussion · Figure 1; Figure 2 |
| CDL-MOF1 AA-stacked computational model | Cu3(HHTP)(HHTQ)Cu nodes in the optimised model · HHTP and HHTQ in separate parallel pi-donor and pi-acceptor stacks | 2D · Model SystemDFT-optimised AA stacking model with parallel homomeric HHTP/HHTP and HHTQ/HHTQ stacks. | p006 / article p.6 · Results and Discussion · Figure 6a |
| CDL-MOF1 AB-stacked computational model | Cu3(HHTP)(HHTQ)Cu nodes in the optimised model · HHTP and HHTQ in alternating pi-donor/pi-acceptor stacks | 2D · Model SystemDFT-optimised AB stacking model with alternating HHTP/HHTQ stacks. | p006 / article p.6 · Results and Discussion · Figure 6b |
| Cu3(HHTP)2Browse family: Cu₃(HHTP)₂ / Cu–HHTP | Cu3(HHTP)2Copper nodes coordinated to catecholate HHTP ligands · Hexahydroxytriphenylene (HHTP; pi-donor) | 2D · PristineSingle-ligand parent hexagonal 2D MOF; PXRD pattern compared with CDL-MOF1. | p003 / article p.3 · Results and Discussion · Figure 2; Figure 5 |
| Cu3(HHTQ)2 | Cu3(HHTQ)2Copper nodes coordinated to catecholate HHTQ ligands · 2,3,7,8,12,13-hexahydroxytricycloquinazoline (HHTQ; pi-acceptor) | 2D · PristineSingle-ligand parent hexagonal 2D MOF; PXRD pattern compared with CDL-MOF1. | p003 / article p.3 · Results and Discussion · Figure 2; Figure 5 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| AA-stacked CDL-MOF1 DFT modelresearch_0341__mat__mat_cdl_mof1_aa_model | Model · Model System · Model | Fully optimised DFT model. | p004 / SI p.S3 · Computational Studies · Figure 6a |
| AB-stacked CDL-MOF1 DFT modelresearch_0341__mat__mat_cdl_mof1_ab_model | Model · Model System · Model | Fully optimised DFT model. | p004 / SI p.S3 · Computational Studies · Figure 6b |
| CDL-MOF1 pressed pelletresearch_0341__mat__mat_cdl_mof1 | Pellet · Target Sample · Pristine Framework | 3.5 mg powder pressed between silver-coated steel rods at 260 MPa for 1 min.Teflon tube two-probe holder with silver-painted stainless-steel rods · L approximately 0.02 cm | p003 / SI p.S2 · General Materials and Methods |
| CDL-MOF1 microcrystalline black powderresearch_0341__mat__mat_cdl_mof1 | Powder · Target Sample · Pristine Framework | Solvothermally prepared, washed, hot-water soaked, and vacuum dried black powder. | p004 / SI p.S3 · Material Synthesis and Characterization |
| Cu3(HHTP)2 pressed pelletresearch_0341__mat__mat_cu_hhtp2 | Pellet · Pristine Control · Pristine Framework | 3.5 mg powder pressed between silver-coated steel rods at 260 MPa for 1 min.Teflon tube two-probe holder with silver-painted stainless-steel rods · L approximately 0.02 cm | p003 / SI p.S2 · General Materials and Methods |
| Cu3(HHTP)2 dark blue solidresearch_0341__mat__mat_cu_hhtp2 | Powder · Pristine Control · Pristine Framework | Solvothermally prepared, washed with H2O, EtOH and acetone, and vacuum dried. | p004 / SI p.S3 · Material Synthesis and Characterization |
| Cu3(HHTQ)2 pressed pelletresearch_0341__mat__mat_cu_hhtq2 | Pellet · Pristine Control · Pristine Framework | 3.5 mg powder pressed between silver-coated steel rods at 260 MPa for 1 min.Teflon tube two-probe holder with silver-painted stainless-steel rods · L approximately 0.02 cm | p003 / SI p.S2 · General Materials and Methods |
| Cu3(HHTQ)2 black solidresearch_0341__mat__mat_cu_hhtq2 | Powder · Pristine Control · Pristine Framework | Solvothermally prepared, washed with H2O, DMF, EtOH and acetone, and vacuum dried. | p004 / SI p.S3 · Material Synthesis and Characterization |