Angel S.M., Barnett N.S., Talin A.A. et al. · Journal of Materials Chemistry C · 2024 · 2699-2704
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.
Greater TCNQ LUMO/valence-band overlap in the Cu analogue is consistent with its larger conductivity compared with the Mn analogue.
Caveat: The link is based on computed DOS overlap and transport comparison.
2701 · Results and discussion · Fig. 4b-c · Linked to 3 structured results
Open d-shell Cu and Mn MOF-74 variants become conductive after TCNQ infiltration, whereas Mg and Zn variants show no detectable conductivity.
Caveat: No-conductivity controls are qualitative because detection limits are not reported.
2699-2701 · Abstract/results · Fig. 3; Fig. S5 · Linked to 5 structured results
Air-free TCNQ infiltration avoids oxidised TCNQ by-product formation.
Caveat: Based on absence of the 480 nm diagnostic band; raw spectra are figure-level evidence.
2700-2701 · Results and discussion/summary · Fig. 2 · Linked to 1 structured result
The nonlinear activation energy of TCNQ@Cu-MOF-74 is attributed to temperature-dependent electron-electron Coulombic interactions.
Caveat: Author mechanistic interpretation; extracted primary value is the fitted activation energy.
2701 · Results and discussion · Fig. 3c · Linked to 1 structured result
Guest molecule conjugation is required for charge transport; H4TCNQ controls remain non-conductive despite similar loading and Raman evidence for coordination.
Caveat: Conductivity controls are qualitative room-temperature IV plots; detection limits not specified.
2701 · Results and discussion/summary · Fig. S4; Fig. S6 · Linked to 5 structured results
TCNQ p-dopes Cu-MOF-74 and Mn-MOF-74, facilitating through-bond charge transport through conjugated guest pathways.
Caveat: Combines Raman, DFT Bader charge, DOS and transport trends; mechanism is author interpretation.
2699-2701 · Abstract/results · Fig. 4; Table S2 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu-MOF-74Browse family: Cu₂(DOBDC) / Cu–MOF-74 / CPO-27-Cu | Cu2(dobdc) framework, reported as Cu-MOF-74Cu2+ open metal sites in MOF-74 · 2,5-dihydroxyterephthalic acid derived dobdc linker | 3D · PristineIsostructural M-MOF-74 parent framework; open d-shell host. | S-2 · Syntheses |
| H4TCNQ@Cu-MOF-74 | H4TCNQ guest in Cu-MOF-74; ca. 2 H4TCNQ per unit cellCu2+ open metal sites · MOF-74 dobdc linker plus hydrogenated H4TCNQ guest | 3D · CompositeHydrogenated guest-loaded control lacking the conjugated pi network of TCNQ. | 2701 · Results and discussion · Fig. S6 |
| H4TCNQ@Mg-MOF-74 | H4TCNQ-exposed Mg-MOF-74Mg2+ open metal sites · MOF-74 dobdc linker plus hydrogenated H4TCNQ guest | 3D · CompositeHydrogenated guest-loaded closed-shell control. | S-9 · Conductivity data · Fig. S6 |
| H4TCNQ@Mn-MOF-74 | H4TCNQ guest in Mn-MOF-74; ca. 4 H4TCNQ per unit cellMn2+ open metal sites · MOF-74 dobdc linker plus hydrogenated H4TCNQ guest | 3D · CompositeHydrogenated guest-loaded control lacking the conjugated pi network of TCNQ. | 2701 · Results and discussion · Fig. S6 |
| H4TCNQ@Zn-MOF-74 | H4TCNQ-exposed Zn-MOF-74Zn2+ open metal sites · MOF-74 dobdc linker plus hydrogenated H4TCNQ guest | 3D · CompositeHydrogenated guest-loaded closed-shell control. | S-9 · Conductivity data · Fig. S6 |
| Mg-MOF-74Browse family: Mg₂(DOBDC) / Mg–MOF-74 / CPO-27-Mg | Mg2(dobdc) framework, reported as Mg-MOF-74Mg2+ open metal sites in MOF-74 · 2,5-dihydroxyterephthalic acid derived dobdc linker | 3D · PristineIsostructural M-MOF-74 parent framework; closed-shell control host. | S-3 · Syntheses |
| Mn-MOF-74Browse family: Mn₂(DOBDC) / Mn–MOF-74 / CPO-27-Mn | Mn2(dobdc) framework, reported as Mn-MOF-74Mn2+ open metal sites in MOF-74 · 2,5-dihydroxyterephthalic acid derived dobdc linker | 3D · PristineIsostructural M-MOF-74 parent framework; open d-shell host. | S-2 · Syntheses |
| TCNQ@Cu-MOF-74 | TCNQ guest in Cu-MOF-74; ca. 2 TCNQ per unit cell, 1 TCNQ per 6 Cu ionsCu2+ open metal sites coordinated to TCNQ · MOF-74 dobdc linker plus TCNQ guest | 3D · CompositeGuest-loaded MOF-74; TCNQ binds open metal sites and is proposed to form conductive molecular pathways. | 2700 · Results and discussion · Fig. 1-Fig. 3 |
| TCNQ@Mg-MOF-74 | TCNQ-exposed Mg-MOF-74Mg2+ open metal sites; TCNQ coordination signal absent · MOF-74 dobdc linker plus attempted TCNQ guest | 3D · CompositeGuest-exposed closed-shell control; no detectable conductivity. | 2700-2701 · Results and discussion · Fig. S4-S5 |
| TCNQ@Mn-MOF-74 | TCNQ guest in Mn-MOF-74; ca. 4 TCNQ per unit cell, 2 TCNQ per 6 Mn ionsMn2+ open metal sites coordinated to TCNQ · MOF-74 dobdc linker plus TCNQ guest | 3D · CompositeGuest-loaded MOF-74; TCNQ binds open metal sites and is proposed to form conductive molecular pathways. | 2700 · Results and discussion · Fig. 1-Fig. 3 |
| TCNQ@Zn-MOF-74 | TCNQ-exposed Zn-MOF-74Zn2+ open metal sites; TCNQ coordination signal absent · MOF-74 dobdc linker plus attempted TCNQ guest | 3D · CompositeGuest-exposed closed-shell control; no detectable conductivity. | 2700-2701 · Results and discussion · Fig. S4-S5 |
| Zn-MOF-74Browse family: Zn₂(DOBDC) / Zn–MOF-74 / CPO-27-Zn | Zn2(dobdc) framework, reported as Zn-MOF-74Zn2+ open metal sites in MOF-74 · 2,5-dihydroxyterephthalic acid derived dobdc linker | 3D · PristineIsostructural M-MOF-74 parent framework; closed-shell control host. | S-2-S-3 · Syntheses |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu-MOF-74 powderresearch_0342__mat__mat_cu_mof74 | Powder · Pristine Control · Pristine Framework | Solvothermally synthesised parent powder before guest infiltration. | S-2 · Syntheses |
| DFT model of TCNQ@Cu-MOF-74research_0342__mat__mat_tcnq_cu_mof74 | Model · Model System · Model | Optimised computational model, not a separate experimental sample. | S-10-S-11 · Computational Details · Table S2 |
| DFT model of TCNQ@Mn-MOF-74research_0342__mat__mat_tcnq_mn_mof74 | Model · Model System · Model | Optimised computational model, not a separate experimental sample. | S-10-S-11 · Computational Details · Fig. S7; Table S2 |
| H4TCNQ@Cu-MOF-74 pelletresearch_0342__mat__mat_h4tcnq_cu_mof74 | Pellet · Target Sample · Guest Loaded | Cu-MOF-74 powder infiltrated with H4TCNQ and measured as conductivity control.0.5 mm pellet assumed from conductivity method | S-4-S-9 · H4TCNQ Infiltration; Conductivity data · Fig. S6 |
| H4TCNQ@Mg-MOF-74 pelletresearch_0342__mat__mat_h4tcnq_mg_mof74 | Pellet · Target Sample · Guest Loaded | Mg-MOF-74 H4TCNQ conductivity control shown in SI figure.0.5 mm pellet assumed from conductivity method | S-9 · Conductivity data · Fig. S6 |
| H4TCNQ@Mn-MOF-74 pelletresearch_0342__mat__mat_h4tcnq_mn_mof74 | Pellet · Target Sample · Guest Loaded | Mn-MOF-74 powder infiltrated with H4TCNQ and measured as conductivity control.0.5 mm pellet assumed from conductivity method | S-4-S-9 · H4TCNQ Infiltration; Conductivity data · Fig. S6 |
| H4TCNQ@Zn-MOF-74 pelletresearch_0342__mat__mat_h4tcnq_zn_mof74 | Pellet · Target Sample · Guest Loaded | Zn-MOF-74 H4TCNQ conductivity control shown in SI figure.0.5 mm pellet assumed from conductivity method | S-9 · Conductivity data · Fig. S6 |
| Mg-MOF-74 powderresearch_0342__mat__mat_mg_mof74 | Powder · Pristine Control · Pristine Framework | Solvothermally synthesised parent powder before guest infiltration. | S-3 · Syntheses |
| Mn-MOF-74 powderresearch_0342__mat__mat_mn_mof74 | Powder · Pristine Control · Pristine Framework | Solvothermally synthesised parent powder before guest infiltration. | S-2 · Syntheses |
| Printed nano-Mn-MOF-74 filmresearch_0342__mat__mat_mn_mof74 | Thin Film · Pristine Control · Pristine Framework | Nano-Mn-MOF-74 dispersion printed onto FTO for DRS measurements.FTO-coated glass | S-3-S-5 · Syntheses; Characterization methods |
| TCNQ@Cu-MOF-74 pelletresearch_0342__mat__mat_tcnq_cu_mof74 | Pellet · Target Sample · Guest Loaded | Air-free TCNQ-infiltrated powder pressed into pellet for two-point transport.0.5 mm pellet | S-4-S-6 · Guest Molecule Infiltration; Characterization methods · Fig. S1 |
| TCNQ@Mg-MOF-74 pelletresearch_0342__mat__mat_tcnq_mg_mof74 | Pellet · Target Sample · Guest Loaded | TCNQ-exposed Mg-MOF-74 pellet for conductivity control.0.5 mm pellet | S-4-S-9 · Guest Molecule Infiltration; Conductivity data · Fig. S5 |
| TCNQ@Mn-MOF-74 film for DRSresearch_0342__mat__mat_tcnq_mn_mof74 | Thin Film · Target Sample · Guest Loaded | Printed nano-Mn-MOF-74 film after TCNQ infiltration for diffuse reflectance spectroscopy.FTO-coated glass | 2700 · Results and discussion · Fig. 2d |
| TCNQ@Mn-MOF-74 pelletresearch_0342__mat__mat_tcnq_mn_mof74 | Pellet · Target Sample · Guest Loaded | Air-free TCNQ-infiltrated powder pressed into pellet for two-point transport.0.5 mm pellet | S-4-S-6 · Guest Molecule Infiltration; Characterization methods · Fig. S1 |
| TCNQ@Zn-MOF-74 pelletresearch_0342__mat__mat_tcnq_zn_mof74 | Pellet · Target Sample · Guest Loaded | TCNQ-exposed Zn-MOF-74 pellet for conductivity control.0.5 mm pellet | S-4-S-9 · Guest Molecule Infiltration; Conductivity data · Fig. S5 |
| Zn-MOF-74 powderresearch_0342__mat__mat_zn_mof74 | Powder · Pristine Control · Pristine Framework | Solvothermally synthesised parent powder before guest infiltration. | S-2-S-3 · Syntheses |