Ren Z.-H., Zhang Z.-R., Ma L.-J. et al. · ACS Applied Materials and Interfaces · 2023 · 6621-6630
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.
AC||1-ox and AC||2-ox supercapatteries deliver high specific energy and retain more than 82% capacity after 10000 cycles.
Caveat: Device mass balancing and AC||2-ox cycling plots were read from SI; raw curve data remain unavailable.
p007 / 6627 · 2.5 · Figure 5 and Figure S22 · Linked to 4 structured results
The high capacities of 1-ox and 2-ox are attributed mainly to conductivity enhancement rather than the capacity contribution of excess physisorbed iodine.
Caveat: Electrode fabrication details and equations S1-S5 were read from SI; raw electrochemical curves were not available.
p005-p006 / 6625-6626 · 2.4 · Figure 4 and Figure S15 · Linked to 7 structured results
Iodine-treated 1-ox and 2-ox have narrower direct and indirect optical band gaps than pristine 1 and 2, consistent with oxidative doping increasing electronic delocalisation.
Caveat: Band gaps are derived from Kubelka-Munk/Tauc analysis of diffuse-reflectance spectra rather than direct transport gaps.
p030 · 4. Table · Table S3 · Linked to 6 structured results
Face-to-face TTF columns are proposed to facilitate charge delocalisation and help explain enhanced conductivity after iodine doping.
Caveat: Structure-property link is mechanistic interpretation rather than a directly measured charge-transport pathway.
p005 / 6625 · 2.3 · Figure S2 referenced · Linked to 4 structured results
CV/GCD and kinetics analyses indicate battery-type behaviour dominated by a diffusion-controlled process, with capacitive contribution increasing at high scan rate.
Caveat: Most b-value plots and capacitive/diffusive separations are graphical SI values; exact 1-ox percentage range is quoted in main text.
p006 / 6626 · 2.4 · Figures S17-S20 · Linked to 2 structured results
Ex situ PXRD, FTIR and XPS support a stable framework and an organic-ligand-dominated K+ interaction mechanism during charge/discharge, including TTF sulfur active sites.
Caveat: 2-ox ex situ data and proposed Chart S1 were read from the SI; XPS interpretations are assigned from peak shifts rather than direct operando evidence.
p007-p008 / 6627-6628 · 2.5 · Figure 6 · Linked to 5 structured results
Iodine-vapour oxidative doping raises conductivity of the TTF-BPDC MOFs by six to seven orders of magnitude while retaining crystallinity.
Caveat: Conductivity is pressed-pellet bulk/particle measurement; detailed pellet geometry and error estimates are not reported in main text.
p005 / 6625 · 2.3 · Figure 3c,d · Linked to 5 structured results
The authors infer that iodine oxidation occurs mainly on the surface and only about 12% of TTF moieties become radical cations.
Caveat: The absence of iodine residues in single-crystal data and the small channel size are inferential; CIF files were not locally available for independent structure validation.
p003-p004 / 6623-6624 · 2.2 · Figures 2 and S3 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| AC||1-ox supercapattery device | Composite device: activated carbon negative electrode || 1-ox positive electrode in 6.0 M KOHNi(II) framework nodes in 1-ox positrode · py-TTF-py/BPDC framework in positrode plus activated carbon negatrode | unknown · CompositeAsymmetric supercapattery device, not a single MOF crystal structure. | p006 / 6626 · 2.5 Performance of Supercapattery Devices · Figure 5 |
| AC||2-ox supercapattery device | Composite device: activated carbon negative electrode || 2-ox positive electrode in 6.0 M KOHZn(II) framework nodes in 2-ox positrode · py-TTF-py/BPDC framework in positrode plus activated carbon negatrode | unknown · CompositeAsymmetric supercapattery device, not a single MOF crystal structure. | p006 / 6626 · 2.5 Performance of Supercapattery Devices · Figure 5 and Figure S22 |
| Iodine control | I2 | 0D · Model SystemNon-MOF control measured under the same conditions. | p005 / 6625 · 2.3 Optical and Electronic Properties and Electrical Conductivity · Figure S14b referenced |
| [Ni(py-TTF-py)(BPDC)].2H2O (1) | C30H22N2NiO6S4; framework formula [Ni(py-TTF-py)(BPDC)].2H2ONi(II), six-coordinate N2O4 environment; treated topologically as tetrahedral nodes · py-TTF-py = 2,6-bis(4'-pyridyl)tetrathiafulvalene; H2BPDC = biphenyl-4,4'-dicarboxylic acid | 3D · PristineOrthorhombic Pnna; 8-fold interpenetrating diamond-like dia network; open channels along crystallographic a-axis. | p002 / 6622 · 2.1 Crystal Structures · Figure 1 |
| Iodine-vapour oxidatively doped [Ni(py-TTF-py)(BPDC)].2H2O (1-ox) | [Ni(py-TTF-py)(BPDC)](Isum)1.32.2H2O; elemental formula reported as C30H22N2NiO6S4I1.32Ni(II) framework nodes retained after iodine treatment · py-TTF-py and BPDC; partial oxidation of TTF moieties with iodine species on/near surface | 3D · PristineOxidatively doped derivative of 1; PXRD/FTIR indicate retained crystallinity and framework integrity. | p003 / 6623 · 2.2 Characterization of Pristine and Iodine-Treated 1 and 2 · Figure 2 |
| Hexane-washed iodine-treated 1 (1-ox prime) | [Ni(py-TTF-py)(BPDC)](I3)0.12.2H2ONi(II) framework nodes · py-TTF-py and BPDC; reduced physisorbed iodine after hexane/vacuum treatment | 3D · PristineWashed doped Ni TTF-BPDC framework used to separate radical-cation/framework contribution from excess iodine. | p003 / 6623 · 2.2 Characterization of Pristine and Iodine-Treated 1 and 2 · Figure 2a,d |
| Iodine-vapour oxidatively doped [Zn(py-TTF-py)(BPDC)].2H2O (2-ox) | [Zn(py-TTF-py)(BPDC)](Isum)1.32.2H2O; elemental formula reported as C30H22N2O6S4ZnI1.32Zn(II) framework nodes retained after iodine treatment · py-TTF-py and BPDC; partial oxidation of TTF moieties with iodine species on/near surface | 3D · PristineOxidatively doped derivative of 2; PXRD/FTIR indicate retained crystallinity and framework integrity. | p003 / 6623 · 2.2 Characterization of Pristine and Iodine-Treated 1 and 2 · Figure S4 |
| Hexane-washed iodine-treated 2 (2-ox prime) | [Zn(py-TTF-py)(BPDC)](I3)0.12.2H2O inferred analogous to 1-ox primeZn(II) framework nodes · py-TTF-py and BPDC; reduced physisorbed iodine after hexane/vacuum treatment | 3D · PristineWashed doped Zn TTF-BPDC framework used to separate radical-cation/framework contribution from excess iodine. | p003 / 6623 · 2.2 Characterization of Pristine and Iodine-Treated 1 and 2 · Figure S3 |
| [Zn(py-TTF-py)(BPDC)].2H2O (2) | C30H22N2O6S4Zn; framework formula [Zn(py-TTF-py)(BPDC)].2H2OZn(II), isostructural with Ni analogue · py-TTF-py = 2,6-bis(4'-pyridyl)tetrathiafulvalene; H2BPDC = biphenyl-4,4'-dicarboxylic acid | 3D · PristineIsostructural with 1; 3D densely packed 8-fold interpenetrating dia-like topology. | p002 / 6622 · 2.1 Crystal Structures · Figure 1 and Table S1 referenced |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 1 crystalsresearch_0451__mat__mof_1_ni_ttf_bpdc | Single Crystal · Pristine Control · Pristine Framework | Dark red crystals obtained solvothermally and used for crystallography and measurements. | p008 / 6628 · 4.1.1 |
| 1 electroderesearch_0451__mat__mof_1_ni_ttf_bpdc | Electrode · Pristine Control · Composite | MOF/Super P/PTFE slurry in ethanol, 8:1:1 by weight; loading controlled to 2.5 mg cm^-2; compacted at 10 MPa and vacuum dried 12 h.nickel foam current collector, 1.0 cm x 1.0 cm for three-electrode configuration | p006-p007 · Electrochemical measurements |
| 1-oxresearch_0451__mat__mof_1_ox_iodine_doped | Single Crystal · Target Sample · Doped | Iodine-vapour oxidatively doped crystals; dark red to black; evacuated at 60 degC overnight. | p008 / 6628 · 4.1.3 |
| 1-ox electroderesearch_0451__mat__mof_1_ox_iodine_doped | Electrode · Target Sample · Composite | MOF/Super P/PTFE slurry in ethanol, 8:1:1 by weight; loading controlled to 2.5 mg cm^-2; compacted at 10 MPa and vacuum dried 12 h.nickel foam current collector, 1.0 cm x 1.0 cm for three-electrode configuration | p006-p007 · Electrochemical measurements |
| 1-ox pressed pelletresearch_0451__mat__mof_1_ox_iodine_doped | Pellet · Target Sample · Doped | Pressed pellet of iodine-treated 1 for I-V conductivity. | p005 / 6625 · 2.3 · Figure 3d |
| 1-ox'research_0451__mat__mof_1_ox_prime_washed | Powder · Pristine Control · Doped | 1-ox washed repeatedly with hexane and evacuated at 60 degC overnight to remove excess physisorbed iodine. | p003 / 6623 · 2.2 Characterization · Figure 2a,d |
| 1 pressed pelletresearch_0451__mat__mof_1_ni_ttf_bpdc | Pellet · Pristine Control · Pristine Framework | Pressed pellet for room-temperature I-V conductivity. | p005 / 6625 · 2.3 · Figure 3c |
| 2 crystalsresearch_0451__mat__mof_2_zn_ttf_bpdc | Single Crystal · Pristine Control · Pristine Framework | Dark red crystals obtained solvothermally and used for crystallography and measurements. | p008 / 6628 · 4.1.2 |
| 2 electroderesearch_0451__mat__mof_2_zn_ttf_bpdc | Electrode · Pristine Control · Composite | MOF/Super P/PTFE slurry in ethanol, 8:1:1 by weight; loading controlled to 2.5 mg cm^-2; compacted at 10 MPa and vacuum dried 12 h.nickel foam current collector, 1.0 cm x 1.0 cm for three-electrode configuration | p006-p007 · Electrochemical measurements |
| 2-oxresearch_0451__mat__mof_2_ox_iodine_doped | Single Crystal · Target Sample · Doped | Iodine-vapour oxidatively doped crystals; prepared similarly to 1-ox. | p008 / 6628 · 4.1.4 |
| 2-ox electroderesearch_0451__mat__mof_2_ox_iodine_doped | Electrode · Target Sample · Composite | MOF/Super P/PTFE slurry in ethanol, 8:1:1 by weight; loading controlled to 2.5 mg cm^-2; compacted at 10 MPa and vacuum dried 12 h.nickel foam current collector, 1.0 cm x 1.0 cm for three-electrode configuration | p006-p007 · Electrochemical measurements |
| 2-ox pressed pelletresearch_0451__mat__mof_2_ox_iodine_doped | Pellet · Target Sample · Doped | Pressed pellet of iodine-treated 2 for I-V conductivity. | p005 / 6625 · 2.3 · Figure 3d |
| 2-ox'research_0451__mat__mof_2_ox_prime_washed | Powder · Pristine Control · Doped | 2-ox washed repeatedly with hexane and evacuated at 60 degC overnight to remove excess physisorbed iodine. | p003 / 6623 · 2.2 Characterization · Figure S3 referenced |
| 2 pressed pelletresearch_0451__mat__mof_2_zn_ttf_bpdc | Pellet · Pristine Control · Pristine Framework | Pressed pellet for room-temperature I-V conductivity. | p005 / 6625 · 2.3 · Figure 3c |
| AC||1-ox supercapatteryresearch_0451__mat__device_ac_1ox | Electrode · Composite Sample · Composite | Two-electrode supercapattery assembled with 1-ox or 2-ox positive electrode, activated carbon negative electrode, fibre paper separator, and 6.0 M KOH electrolyte; electrode area 0.5 cm x 0.5 cm. | p007 · Electrochemical measurements · Eq. S1 |
| AC||2-ox supercapatteryresearch_0451__mat__device_ac_2ox | Electrode · Composite Sample · Composite | Two-electrode supercapattery assembled with 1-ox or 2-ox positive electrode, activated carbon negative electrode, fibre paper separator, and 6.0 M KOH electrolyte; electrode area 0.5 cm x 0.5 cm. | p007 · Electrochemical measurements · Eq. S1 |
| iodine controlresearch_0451__mat__iodine_control | Powder · Model System · Model | Iodine measured under same conductivity and electrochemical conditions as control. | p005 / 6625 · 2.3-2.4 · Figures S14b and S15f referenced |