Schneider C., Ukaj D., Koerver R. et al. · Chemical Science · 2018 · 7405-7412
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.
1.0TCNQ@Cu3BTC2 combines one of the highest reported conductivities paired with permanent porosity among comparable conductive MOFs, suggesting sensing and electronic device potential.
Caveat: Application relevance is prospective; no device demonstration is reported in this paper.
7409 · Conclusions · Linked to 2 structured results
The increasing conductivity with VPI TCNQ loading is ascribed primarily to the host-guest system rather than solely to Cu(TCNQ) surface byproduct.
Caveat: The paper explicitly states quantitative separation of host-guest and Cu(TCNQ) contributions is difficult.
7409 · Results · Figures S3, S11, S12, S18 · Linked to 5 structured results
The systematic BET area decrease cannot be explained by simple surface adsorption or non-penetrating physical mixture and supports TCNQ incorporation into Cu3BTC2 pores.
Caveat: BET is indirect evidence and does not alone resolve local TCNQ ordering.
7407 · Results · Figure 3; Figure S5 · Linked to 5 structured results
Solvent-free VPI promotes ordered TCNQ arrangement in the (111) lattice plane and a bridging coordination motif to neighbouring Cu paddlewheel units.
Caveat: Authors note disordered TCNQ is also expected because only one type of large pore has open Cu sites, and additional structural analysis is beyond the report.
7407, 7409 · Results/Conclusions · Figures 1-2; Figure S4 · Linked to 4 structured results
Liquid-phase infiltration gives higher, non-ohmic conductivity for x approximately 0.4 but no evidence of pronounced TCNQ ordering, likely because solvent molecules remain in pores.
Caveat: The SI plot gives 3.20e-4 S cm^-1, whereas a main-text OCR/rendered passage is ambiguous on exponent; SI exact figure value is used for the numeric result.
S15-S17 · Liquid phase infiltration · Figures S21-S24 · Linked to 3 structured results
The exponential conductivity increase with TCNQ loading is described by classical percolation, where TCNQ-bridged paddlewheel domains interconnect at higher loading.
Caveat: Cu(TCNQ) byproduct contribution is difficult to quantify, and disordered TCNQ may also contribute to transport.
7409 · Results · Figure 6 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu3BTC2 (HKUST-1)Browse family: HKUST-1 / Cu₃(BTC)₂ | Cu3BTC2Cu paddlewheel units with open Cu sites · BTC = 1,3,5-benzenetricarboxylate | 3D · PristineParent porous MOF framework, also known as HKUST-1; face-centred cubic parent structure referenced in PXRD discussion. | 7405 · Abstract/Introduction |
| Cu(TCNQ) | Cu(TCNQ)Cu(I)/Cu(II)-TCNQ phase · TCNQ | unknown · UnknownCu(TCNQ) phase I nanowire byproduct/reference, identified on the surface of loaded Cu3BTC2 crystallites. | 7407-7409 · Results and discussion · Figures 1, 4; Figure S13 |
| CuTCNQ/Cu3BTC2 physical mixtureBrowse family: HKUST-1 / Cu₃(BTC)₂ | CuTCNQ + Cu3BTC2Cu in Cu(TCNQ) and Cu3BTC2 · TCNQ and BTC | 3D · CompositePressed physical mixtures of CuTCNQ with pristine Cu3BTC2, used to test whether surface CuTCNQ impurity alone accounts for conductivity. | 7409 · Results and discussion · Figure S12 |
| TCNQ@Cu3BTC2 from liquid phase infiltrationBrowse family: HKUST-1 / Cu₃(BTC)₂ | approximately 0.4TCNQ@Cu3BTC2 + n H2OCu paddlewheel units in Cu3BTC2 · BTC framework linker with TCNQ guest molecules; residual water/solvent present | 3D · PristineLiquid-infiltrated comparison sample retaining the Cu3BTC2 crystal structure but without pronounced (111) TCNQ ordering. | S15-S17 · Liquid phase infiltration · Figures S21-S24; Table S3 |
| xTCNQ@Cu3BTC2Browse family: HKUST-1 / Cu₃(BTC)₂ | xTCNQ@Cu3BTC2, 0 <= x <= 1.0Cu paddlewheel units in Cu3BTC2 · BTC framework linker with TCNQ guest molecules | 3D · PristineGuest-loaded Cu3BTC2 with TCNQ preferentially ordered along the (111) lattice plane; Pawley fit suggests reduced symmetry/possible supercell at high loading. | 7405-7407 · Abstract/Results and discussion · Figures 1-3 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| pristine Cu3BTC2research_0081__mat__mat_cu3btc2 | Powder · Pristine Control · Pristine Framework | Blue powder after Soxhlet washing and high-vacuum desolvation at 180 C; pressed pellet for conductivity.0.30 mm pellet for conductivity | 7409-7410 · Experimental · Table S1 |
| 10% CuTCNQ/Cu3BTC2 physical mixtureresearch_0081__mat__mat_cutcnq_cu3btc2_mixture | Pellet · Composite Sample · Composite | Physical mixture of 10% CuTCNQ with pristine Cu3BTC2 pressed as pellet.0.043 mm pellet | S7-S8 · Electrical conductivity measurements · Figure S12; Table S1 |
| 1% CuTCNQ/Cu3BTC2 physical mixtureresearch_0081__mat__mat_cutcnq_cu3btc2_mixture | Pellet · Composite Sample · Composite | Physical mixture of 1% CuTCNQ with pristine Cu3BTC2 pressed as pellet.0.053 mm pellet | S7-S8 · Electrical conductivity measurements · Figure S12; Table S1 |
| Cu(TCNQ) referenceresearch_0081__mat__mat_cutcnq | Powder · Unknown · Unknown | Needle-shaped Cu(TCNQ) crystals prepared following literature procedure; pressed pellet for conductivity.0.18 mm pellet for conductivity | S2, S7-S8, S10 · PXRD/Electrical conductivity/SEM · Figures S1, S11, S14; Table S1 |
| Cu(TCNQ) after sonicationresearch_0081__mat__mat_cutcnq | Powder · Unknown · Unknown | Cu(TCNQ) sonicated in hexane for 1 h; pressed pellet for conductivity.0.18 mm pellet for conductivity | S7-S8 · Electrical conductivity measurements · Figure S11; Table S1 |
| liquid-infiltrated TCNQ@Cu3BTC2, x approximately 0.4research_0081__mat__mat_liquid_tcnq_cu3btc2 | Powder · Target Sample · Guest Loaded | Pristine activated Cu3BTC2 immersed in saturated TCNQ/DCM solution for 5 days; green powder filtered and dried in ambient air.0.44 mm pellet | S15-S17 · Liquid phase infiltration · Figures S21-S24; Table S3 |
| 0.5TCNQ@Cu3BTC2research_0081__mat__mat_xtcnq_cu3btc2 | Powder · Target Sample · Guest Loaded | VPI sample with x = 0.5 prepared at 180 C for 72 h under sealed vacuum.0.47 mm pellet for conductivity | 7407-7408 · Results · Figures 3-4; Figure S19 |
| 0.8TCNQ@Cu3BTC2research_0081__mat__mat_xtcnq_cu3btc2 | Powder · Target Sample · Guest Loaded | VPI sample with x = 0.8 prepared at 180 C for 72 h under sealed vacuum.0.63 mm pellet for conductivity | S3, S7-S8, S11 · PXRD/Electrical conductivity/SEM · Figures S3, S11, S18; Table S1 |
| 0.8TCNQ@Cu3BTC2 after sonicationresearch_0081__mat__mat_xtcnq_cu3btc2 | Powder · Target Sample · Guest Loaded | 0.8TCNQ@Cu3BTC2 sonicated in hexane for 1 h.0.20 mm pellet for conductivity | S7-S8, S11 · Electrical conductivity measurements/SEM · Figures S11, S18; Table S1 |
| 1.0TCNQ@Cu3BTC2research_0081__mat__mat_xtcnq_cu3btc2 | Powder · Target Sample · Guest Loaded | VPI sample with x = 1.0 prepared at 180 C for 72 h under sealed vacuum; pressed pellet for conductivity.0.29 mm pellet for conductivity | 7405, 7408 · Abstract/Results · Figures 3 and 6 |
| low-temperature VPI TCNQ@Cu3BTC2 variantsresearch_0081__mat__mat_xtcnq_cu3btc2 | Powder · Target Sample · Guest Loaded | 0.5TCNQ@Cu3BTC2 at 70, 85 or 100 C and 1.0TCNQ@Cu3BTC2 at 100 C; 70 C variant prepared in high-vacuum flame-sealed ampoules at 10^-5 mbar. | S2, S10-S11 · PXRD/SEM images · Figures S2, S15-S17 |
| VPI xTCNQ@Cu3BTC2 concentration seriesresearch_0081__mat__mat_xtcnq_cu3btc2 | Powder · Target Sample · Guest Loaded | Activated Cu3BTC2 and TCNQ physically mixed in Ar glovebox, evacuated and flame sealed, heated at 180 C for 72 h, stored in glovebox.pellets: 0.37 mm (x=0.2), 0.47 mm (x=0.5), 0.28 mm (x=0.6), 0.63 mm (x=0.8), 0.29 mm (x=1.0) | 7406, 7409-7410 · Results and Experimental · Figures 1, 3, 5, 6; Table S1 |