Chang Z., Zhu M., Sun Y. et al. · Advanced Functional Materials · 2023 · 2301513
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.
Ni-TTC is presented as a promising supercapacitor candidate, with 249 F g-1 at 0.2 A g-1 in three-electrode tests and 187 F g-1 in a symmetric solid-state device.
Caveat: Application measurements use composite electrodes containing carbon black/PTFE/carbon paper, not pristine MOF-only electrodes.
6 · 3. Conclusion · Linked to 4 structured results
DFT predicts semimetallic Ni-TTC with no band gap, but the experimental pellet conductivity shows semiconducting behaviour; authors ascribe the mismatch to quantum confinement effects from small characteristic size.
Caveat: Quantum-confinement explanation is interpretive and not independently proven in the paper.
4 · 2.3. Electrical Conductivity of Ni-TTC · Figures 3f and S10 · Linked to 2 structured results
Ni-TTC is treated as a neutral c-MOF material with no counter-cation species detected; nitrogen is attributed to trapped DMF.
Caveat: Formula includes solvent guests and was estimated from EA/ICP-OES rather than single-crystal refinement.
3 · 2.1. Synthesis and Structural Characterization of Ni-TTC · Figure 3a; Table S5 · Linked to 4 structured results
Ni-TTC is assigned as a 2D conductive MOF with slipped AA' stacking and P2/m monoclinic lattice from PXRD profile fitting and simulated pattern comparison.
Caveat: No CIF file was provided in the assignment; extracted from article/SI text and figures only.
2 · 2.1. Synthesis and Structural Characterization of Ni-TTC · Figure 1; Figure S2 · Linked to 4 structured results
Charge storage in Ni-TTC involves both EDL capacitance and faradaic redox reactions; redox peaks are assigned to ligand redox activity plus Ni(II)/Ni(III) valence changes.
Caveat: Assignments rely on comparison with ligand CV and proposed Scheme S3; no in situ oxidation-state measurement is reported for cycling.
4-5 · 2.4. Supercapacitor Performance of Ni-TTC · Figures S13-S14; Scheme S3 · Linked to 3 structured results
The high conductivity of Ni-TTC is attributed to in-plane through-bond transport via the Ni2+/8OH-TTC 2D layer and through-space transport from pi-pi stacking between layers.
Caveat: Mechanistic attribution is proposed by authors; no direct anisotropic transport measurement is reported.
4 · 2.3. Electrical Conductivity of Ni-TTC · Figure 3f · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| 8OH-TTC | C32H8O8S42,3,5,6,8,9,11,12-octahydroxy-tetrathia[8]circulene | 0D · UnknownRedox-active molecular ligand used to construct Ni-TTC | 9 · Section 2. Experimental Procedures · Scheme S1 |
| Ni-TTC | Ni2(C24O8S4).HCON(CH3)2.6H2ONi2+ ions / coplanar square NiO4 subunits · tetrathia[8]circulene-2,3,5,6,8,9,11,12-octaol (8OH-TTC) | 2D · Pristine2D conductive MOF; slipped AA' stacking model; experimental profile fitting P2/m, a = 13.06 A, b = 14.56 A, c = 3.73 A, beta = 97.6 deg | 2-3 · 2.1. Synthesis and Structural Characterization of Ni-TTC · Figures 1-3; Table S5 referenced |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 8OH-TTC ligandresearch_0090__mat__mat_8oh_ttc | Powder · Pristine Control · Unknown | black powder obtained by BBr3 demethylation and hydrolysis | 9 · 2,3,5,6,8,9,11,12-octahydroxy-tetrathia[8]circulene (6) · Figure S14 |
| Ni-TTC activated at 120 Cresearch_0090__mat__mat_ni_ttc | Powder · Target Sample · Pristine Framework | activated/heated at 120 C before porosity measurement | 3-4 · 2.1. Synthesis and Structural Characterization of Ni-TTC · Figure 3b; Figure S6 |
| Ni-TTC carbon-paper film electroderesearch_0090__mat__mat_ni_ttc | Electrode · Composite Sample · Composite | 80 wt% Ni-TTC, 10 wt% PTFE, 10 wt% carbon black; dried at 70 C under vacuum overnight; active mass 1.33 mgcarbon paper | 4 · Standard three-electrode system measurements |
| DFT 2D Ni-TTC monolayer modelresearch_0090__mat__mat_ni_ttc | Model · Model System · Model | VASP/PBE 2D lattice model with fixed 1.5 nm interlayer separation | 6 · DFT calculation details and PXRD pattern simulations · Figure S10; Table S1 |
| compressed Ni-TTC pelletresearch_0090__mat__mat_ni_ttc | Pellet · Target Sample · Pristine Framework | pressed pellet / compressed sample for four-probe conductivity | 3 · Characterization Methods |
| as-synthesised Ni-TTC black powderresearch_0090__mat__mat_ni_ttc | Powder · Target Sample · Pristine Framework | washed with water, DMF, acetone and diethyl ether; dried overnight in vacuum at 60 C | 9 · Synthesis of Ni-TTC |
| Ni-TTC symmetric solid-state supercapacitorresearch_0090__mat__mat_ni_ttc | Electrode · Composite Sample · Composite | two identical Ni-TTC carbon-paper electrodes with polyacrylamide hydrogel separator and 50 uL of 1 M KClcarbon paper and graphite paper | 4 · Preparation two-electrode symmetric solid-state cell · Figure S19 |