He Y., Yang S., Fu Y. et al. · Small Structures · 2021 · 2000095
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.
TCNQ, BQ and PMDI are incorporated into the pores of Cu3(BTC)2 rather than simply mixed externally, as supported by XRD peak shifts, spectroscopy, TGA loading and reduced BET surface areas.
Caveat: SI captions provide additional BQ/PMDI spectral shifts and pore-size values, but SI plot images were not supplied for visual inspection.
2-3 · Results and Discussion · Figure 2 · Linked to 8 structured results
Higher conductivity in doped Cu3(BTC)2 cathodes correlates with markedly higher areal capacitance in asymmetric MSC devices.
Caveat: Device fabrication details are available in SI text; full SI CV/GCD/EIS plot traces were not rendered and were not digitised.
5 · Results and Discussion · Figure 4b,c · Linked to 5 structured results
Post-synthetic electron-acceptor doping of Cu3(BTC)2 thin films substantially increases ohmic electrical conductivity, with TCNQ giving the largest increase.
Caveat: Conductivity values are reported in the main text; SI clarifies that transport was measured on pressed pellets made from peeled films at 298 K under vacuum below 0.1 Pa.
4 · Results and Discussion · Figure 3g,h · Linked to 4 structured results
Lower acceptor LUMO levels allow TCNQ, BQ and PMDI to accept electrons from Cu3(BTC)2, decreasing doped-film LUMO levels and supporting electronic communication that enhances conductivity.
Caveat: DFT computational details are in the supplied SI text; DFT LUMO labels for two model values were read from rendered main Figure 3e/f.
3-4 · Results and Discussion · Figure 3b-f · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Electron acceptor molecule reference set (TCNQ, BQ, PMDI) | TCNQ, BQ, PMDI molecular referencesnone · molecular electron acceptors only | 0D · Model SystemReference molecules used for CV energy-level comparison and doping of Cu3(BTC)2. | 1 · Introduction |
| BQ@Cu3(BTC)2 thin filmBrowse family: HKUST-1 / Cu₃(BTC)₂ | BQ guest-loaded/doped Cu3(BTC)2; BQ = benzoquinoneCu2+ sites in Cu3(BTC)2 framework interacting with BQ acceptor molecules. · BTC framework linker plus BQ guest/acceptor molecule. | 3D · CompositeDoped Cu3(BTC)2 thin film; XRD (333) peak shifts to lower degree versus undoped Cu3(BTC)2. | 2 · Results and Discussion · Figure 1 |
| Cu3(BTC)2 thin film (HKUST-1-type Cu-BTC MOF)Browse family: HKUST-1 / Cu₃(BTC)₂ | Cu3(BTC)2; BTC = benzene-1,3,5-tricarboxylateCu2+ centres generated in situ from Cu foil during Ag+-mediated reaction. · BTC / benzene-1,3,5-tricarboxylate from H3BTC. | 3D · PristinePolycrystalline Cu3(BTC)2 thin film; XRD compared with literature Cu3(BTC)2 and doped films. | 2 · Results and Discussion · Figure 1a |
| Cu3(BTC)2 and acceptor-loaded Cu3(BTC)2 DFT model systemsBrowse family: HKUST-1 / Cu₃(BTC)₂ | Model geometries of H2O@Cu3(BTC)2, TCNQ@Cu3(BTC)2, BQ@Cu3(BTC)2, and PMDI@Cu3(BTC)2Cu-based Cu3(BTC)2 model cluster/framework fragment. · BTC framework linker, with TCNQ, BQ, or PMDI guest molecules for doped model systems. | unknown · Model SystemCalculated geometries and orbitals used to rationalise LUMO lowering after doping. | Theoretical calculation and Figure captions · Figures S12-S15 |
| PMDI@Cu3(BTC)2 thin filmBrowse family: HKUST-1 / Cu₃(BTC)₂ | PMDI guest-loaded/doped Cu3(BTC)2; PMDI = pyromellitic diimideCu2+ sites in Cu3(BTC)2 framework interacting with PMDI acceptor molecules. · BTC framework linker plus PMDI guest/acceptor molecule. | 3D · CompositeDoped Cu3(BTC)2 thin film; XRD (333) peak shifts to lower degree versus undoped Cu3(BTC)2. | 2 · Results and Discussion · Figure 1 |
| TCNQ@Cu3(BTC)2 thin filmBrowse family: HKUST-1 / Cu₃(BTC)₂ | TCNQ guest-loaded/doped Cu3(BTC)2; TCNQ = 7,7,8,8-tetracyanoquinododimethaneCu2+ sites in Cu3(BTC)2 framework interacting with TCNQ acceptor molecules. · BTC framework linker plus TCNQ guest/acceptor molecule. | 3D · CompositeDoped Cu3(BTC)2 thin film; XRD (333) peak shifts to lower degree and spectroscopy supports guest incorporation. | 2 · Results and Discussion · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| TCNQ, BQ and PMDI in DCM/Bu4NPF6 reference CV solutionresearch_0118__mat__mat_acceptor_reference_set | Unknown · Model System · Model | Dissolved in DCM solution of Bu4NPF6 (0.1 M) for CV.standard three-electrode cell solution measurement | 4 · Results and Discussion · Figure 3a |
| BQ@Cu3(BTC)2 thin film on Cu foilresearch_0118__mat__mat_bq_cu3btc2 | Thin Film · Target Sample · Doped | Cu3(BTC)2 film vacuum-heated at 180 C for 30 min, immersed in 2 mg mL^-1 BQ/anhydrous CH2Cl2 for 7 days, then washed at least five times with anhydrous CH2Cl2.Cu foil with Ag collector layer · not reported in main text | 2 · Results and Discussion · Figure 1b |
| BQ@Cu3(BTC)2 pressed pellet for conductivityresearch_0118__mat__mat_bq_cu3btc2 | Pellet · Target Sample · Doped | BQ@Cu3(BTC)2 film peeled from Cu foil, ground with mortar and pressed into small pieces under about 1 GPa for van der Pauw conductivity measurement.none; pressed pellet contacted with silver wires and conductive silver paste/plastic · diameter 1.2 cm; thickness 300 um | Experimental Section, Characterization |
| BQ-MOF-MSC deviceresearch_0118__mat__mat_bq_cu3btc2 | Electrode · Composite Sample · Composite | Asymmetric MSC assembled using BQ@Cu3(BTC)2 cathode, activated carbon anode and PVA/LiCl gel electrolyte.PET substrate with interdigitated positive/negative electrodes on Cu foil current collectors · positive active material loading about 1 mg cm^-2; single interdigitated finger width 1.5 mm, length 16 mm; one electrode area 1.2 cm^2; finger interspace 0.5 mm | Experimental Section, Device fabrication |
| Cu3(BTC)2 thin film on Cu foilresearch_0118__mat__mat_cu3btc2 | Thin Film · Pristine Control · Pristine Framework | In situ grown on cleaned Cu foil by drop/spin coating H3BTC/AgNO3/DMSO solution at 120 C and 300 rpm for 5 min; washed with acetone, dried at 60 C for 3 h.Cu foil with deposited Ag collector layer · Cu foil substrate thickness 10 um; active material mass loading about 1 mg cm^-2; TCNQ-doped side-view film about 3 um. | 2 · Results and Discussion · Figure 1a,b |
| Cu3(BTC)2 pressed pellet for conductivityresearch_0118__mat__mat_cu3btc2 | Pellet · Pristine Control · Pristine Framework | Cu3(BTC)2 film peeled from Cu foil, ground with mortar and pressed into small pieces under about 1 GPa for van der Pauw conductivity measurement.none; pressed pellet contacted with silver wires and conductive silver paste/plastic · diameter 1.2 cm; thickness 300 um | Experimental Section, Characterization |
| Cu3(BTC)2 and acceptor-loaded Cu3(BTC)2 DFT model setresearch_0118__mat__mat_cu_btc_dft_models | Model · Model System · Model | Calculated geometries/orbitals; no experimental processing. | Figure captions · Figures S12-S15 |
| MOF-MSC benchmark deviceresearch_0118__mat__mat_cu3btc2 | Electrode · Composite Sample · Composite | Asymmetric MSC assembled using Cu3(BTC)2 cathode, activated carbon anode and PVA/LiCl gel electrolyte.PET substrate with interdigitated positive/negative electrodes on Cu foil current collectors · positive active material loading about 1 mg cm^-2; single interdigitated finger width 1.5 mm, length 16 mm; one electrode area 1.2 cm^2; finger interspace 0.5 mm | Experimental Section, Device fabrication |
| PMDI@Cu3(BTC)2 thin film on Cu foilresearch_0118__mat__mat_pmdi_cu3btc2 | Thin Film · Target Sample · Doped | Cu3(BTC)2 film vacuum-heated at 180 C for 30 min, immersed in 4 mg mL^-1 PMDI/anhydrous DMF for 7 days, then washed at least five times with anhydrous DMF.Cu foil with Ag collector layer · not reported in main text | 2 · Results and Discussion · Figure 1b |
| PMDI@Cu3(BTC)2 pressed pellet for conductivityresearch_0118__mat__mat_pmdi_cu3btc2 | Pellet · Target Sample · Doped | PMDI@Cu3(BTC)2 film peeled from Cu foil, ground with mortar and pressed into small pieces under about 1 GPa for van der Pauw conductivity measurement.none; pressed pellet contacted with silver wires and conductive silver paste/plastic · diameter 1.2 cm; thickness 300 um | Experimental Section, Characterization |
| PMDI-MOF-MSC deviceresearch_0118__mat__mat_pmdi_cu3btc2 | Electrode · Composite Sample · Composite | Asymmetric MSC assembled using PMDI@Cu3(BTC)2 cathode, activated carbon anode and PVA/LiCl gel electrolyte.PET substrate with interdigitated positive/negative electrodes on Cu foil current collectors · positive active material loading about 1 mg cm^-2; single interdigitated finger width 1.5 mm, length 16 mm; one electrode area 1.2 cm^2; finger interspace 0.5 mm | Experimental Section, Device fabrication |
| TCNQ@Cu3(BTC)2 thin film on Cu foilresearch_0118__mat__mat_tcnq_cu3btc2 | Thin Film · Target Sample · Doped | Cu3(BTC)2 film vacuum-heated at 180 C for 30 min, immersed in 4 mg mL^-1 TCNQ/anhydrous CH2Cl2 for 7 days, then washed at least five times with anhydrous CH2Cl2.Cu foil with Ag collector layer · about 3 um from side-view SEM | 2 · Results and Discussion · Figure 2c |
| TCNQ@Cu3(BTC)2 pressed pellet for conductivityresearch_0118__mat__mat_tcnq_cu3btc2 | Pellet · Target Sample · Doped | TCNQ@Cu3(BTC)2 film peeled from Cu foil, ground with mortar and pressed into small pieces under about 1 GPa for van der Pauw conductivity measurement.none; pressed pellet contacted with silver wires and conductive silver paste/plastic · diameter 1.2 cm; thickness 300 um | Experimental Section, Characterization |
| TCNQ-MOF-MSC deviceresearch_0118__mat__mat_tcnq_cu3btc2 | Electrode · Composite Sample · Composite | Asymmetric MSC assembled using TCNQ@Cu3(BTC)2 cathode, activated carbon anode and PVA/LiCl gel electrolyte.PET substrate with interdigitated positive/negative electrodes on Cu foil current collectors · positive active material loading about 1 mg cm^-2; single interdigitated finger width 1.5 mm, length 16 mm; one electrode area 1.2 cm^2; finger interspace 0.5 mm | Experimental Section, Device fabrication |