Xing G., Liu J., Zhou Y. et al. · Journal of the American Chemical Society · 2023 · 8979-8987
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.
XANES/EXAFS and FTIR support formation of copper bis(dihydroxy) catecholate units rather than copper metal/oxide impurities.
Caveat: XPS indicates mixed Cu2+/trace Cu+ character in addition to CuO-like XANES edge assignment.
p006 / article p8984 · Results and Discussion · Figure 4; Table S2 · Linked to 5 structured results
HRTEM and SAED support the simulated packing/structure assignments for all three c-HBC-based c-MOFs.
Caveat: Some d-spacings for c-HBC-6O-Cu are extracted from rendered figure labels rather than text.
p005 / article p8983 · Results and Discussion · Figure 3 · Linked to 4 structured results
Increasing metal coordination centres and charge-transport pathways improves electrical transport, with c-HBC-12O-Cu giving the highest conductivity.
Caveat: Conductivity was measured on pellets by two-probe method; probe/contact effects are not separately deconvoluted.
p006 / article p8984 · Results and Discussion · Figure 5; Table S3 · Linked to 4 structured results
Large nonplanar c-HBC units still support high charge-carrier mobilities, so nonplanarity does not necessarily deteriorate charge transport.
Caveat: Mobility assignment is source-inconsistent between main text and SI Table S6 for c-HBC-6O-Cu and c-HBC-12O-Cu.
p007 / article p8985 · Conclusion · Figure 5 · Linked to 3 structured results
The c-HBC-based MOF pellets show apparent semiconducting behaviour because conductivity increases with temperature.
Caveat: Temperature-dependent values were presented graphically; only the trend was reported in text.
p006 / article p8984 · Results and Discussion · Figure S29 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| c-HBC-12O-Cu | Cu3(HBC-12O).6H2OCu catecholate nodes; copper bis(dihydroxy) complex units, predominantly Cu2+ with trace Cu+ by XPS · c-HBC-12OH, a D3d-symmetric contorted hexabenzocoronene catechol ligand | 3D · PristineFour-fold interpenetrated three-dimensional structure; C2/m unit-cell model refined from PXRD and simulation. | p005 / article p8983 · Results and Discussion · Figure 2 |
| c-HBC-6O-Cu | Cu3(HBC-6O)2.9H2OCu catecholate nodes; copper bis(dihydroxy) complex units, predominantly Cu2+ with trace Cu+ by XPS · c-HBC-6OH, a C3-symmetric contorted hexabenzocoronene catechol ligand | 2D · PristineWavy convex-concave honeycomb monolayer with ABC stacking; assigned to R-3m/R3m-derived space group from PXRD and simulation. | p004 / article p8982 · Results and Discussion · Figure 2 |
| c-HBC-8O-Cu | Cu2(HBC-8O).5H2OCu catecholate nodes; copper bis(dihydroxy) complex units, predominantly Cu2+ with trace Cu+ by XPS · c-HBC-8OH, a C2h-symmetric contorted hexabenzocoronene catechol ligand | 2D · PristineRhombic monolayer with AA stacking between layers; assigned to C2/m from PXRD and simulation. | p004-p005 / article p8982-p8983 · Results and Discussion · Figure 2 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| c-HBC-12O-Cu film for OPTPresearch_0013__mat__c_hbc_12o_cu | Thin Film · Target Sample · Pristine Framework | Film used for optical pump-THz probe photoconductivity; preparation not separately described. | S4 / p004 · Time- and frequency-resolved THz photoconductivity measurements |
| c-HBC-12O-Cu primitive-unit-cell modelresearch_0013__mat__c_hbc_12o_cu | Model · Model System · Model | DFT model based on simulated structure. | S4 / p004 · Materials and Methods |
| c-HBC-12O-Cu pelletresearch_0013__mat__c_hbc_12o_cu | Pellet · Target Sample · Pristine Framework | Bulk polycrystalline pellet for two-probe conductivity.1.054 mm | S23 / p023 · Electrical Conductivity · Table S3 |
| c-HBC-12O-Cu black powderresearch_0013__mat__c_hbc_12o_cu | Powder · Target Sample · Pristine Framework | Isolated black powder after solvothermal synthesis, centrifugation, washing and vacuum drying. | S9 / p009 · Synthesis of c-HBC-12O-Cu · Scheme S8 |
| c-HBC-6O-Cu film for OPTPresearch_0013__mat__c_hbc_6o_cu | Thin Film · Target Sample · Pristine Framework | Film used for optical pump-THz probe photoconductivity; preparation not separately described. | S4 / p004 · Time- and frequency-resolved THz photoconductivity measurements |
| c-HBC-6O-Cu primitive-unit-cell modelresearch_0013__mat__c_hbc_6o_cu | Model · Model System · Model | DFT model based on simulated structure. | S4 / p004 · Materials and Methods |
| c-HBC-6O-Cu pelletresearch_0013__mat__c_hbc_6o_cu | Pellet · Target Sample · Pristine Framework | Bulk polycrystalline pellet for two-probe conductivity.1.322 mm | S23 / p023 · Electrical Conductivity · Table S3 |
| c-HBC-6O-Cu black powderresearch_0013__mat__c_hbc_6o_cu | Powder · Target Sample · Pristine Framework | Isolated black powder after solvothermal synthesis, centrifugation, washing and vacuum drying. | S8 / p008 · Synthesis of c-HBC-6O-Cu · Scheme S6 |
| c-HBC-8O-Cu film for OPTPresearch_0013__mat__c_hbc_8o_cu | Thin Film · Target Sample · Pristine Framework | Film used for optical pump-THz probe photoconductivity; preparation not separately described. | S4 / p004 · Time- and frequency-resolved THz photoconductivity measurements |
| c-HBC-8O-Cu primitive-unit-cell modelresearch_0013__mat__c_hbc_8o_cu | Model · Model System · Model | DFT model based on simulated structure. | S4 / p004 · Materials and Methods |
| c-HBC-8O-Cu pelletresearch_0013__mat__c_hbc_8o_cu | Pellet · Target Sample · Pristine Framework | Bulk polycrystalline pellet for two-probe conductivity.1.432 mm | S23 / p023 · Electrical Conductivity · Table S3 |
| c-HBC-8O-Cu black powderresearch_0013__mat__c_hbc_8o_cu | Powder · Target Sample · Pristine Framework | Isolated black powder after solvothermal synthesis, centrifugation, washing and vacuum drying. | S9 / p009 · Synthesis of c-HBC-8O-Cu · Scheme S7 |