Johnson B.A., Bhunia A., Fei H. et al. · Journal of the American Chemical Society · 2018 · 2985-2994
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.
Nearly all NDI linkers in the MOF film are electrochemically accessible in DMF, with a reported redox-active fraction of 97%; aqueous measurements give 87 +/- 8%.
Caveat: DMF fraction assumes extinction coefficients of the free linker are unchanged inside the MOF thin film.
SI p.S14-S15 · Percentage of redox-active linkers · Linked to 2 structured results
During aqueous cycling at 100 mV/s, current density decreases over the first few scans, attributed to partial film delamination before stabilisation.
Caveat: This is the authors' interpretation from CV cycling behaviour.
main p.7 · Electrochemical and Optical Properties · Figure S18b
Zr(dcphOH-NDI) is assigned as a redox-active UiO/PIZOF-type 3D Zr MOF with 2-fold interpenetration.
Caveat: Structure is assigned by PXRD comparison rather than single-crystal refinement of this exact framework.
main p.2 · Synthesis and Characterization · Figure S1 · Linked to 3 structured results
Increasing countercation size from K+ to n-Bu4N+ decreases the equivalent diffusion coefficient by about one order of magnitude, indicating that mass transport through pores limits film reduction.
Caveat: The SI values are averaged from three films but still have substantial uncertainty for n-Bu4NPF6.
main p.7 · Electrochemical and Optical Properties · Figure S17 · Linked to 2 structured results
The high surface area and pore-size distribution are presented as advantageous for catalytic transport of substrates, products, and counterions.
Caveat: Catalytic turnover of an installed catalyst was not demonstrated in this paper.
main p.3 · Synthesis and Characterization · Figure 3 · Linked to 5 structured results
Potentiometric titrations indicate proton-responsive sites on both Zr SBUs and hydroxyl-functionalised NDI linkers over approximately pH 3.5-6.1.
Caveat: The paper proposes relevance to PCET/proton transport but does not measure proton conductivity.
main p.4 · Protonation Behavior · Figure 4; Figure S6 · Linked to 3 structured results
In aqueous 0.8 M KCl, the two NDI reductions merge into a single reversible wave assigned to a two-electron process with ncalc = 1.7 +/- 0.2.
Caveat: The mechanistic explanation invokes cation-NDI interactions by analogy to homogeneous NDI derivatives.
main p.7 · Electrochemical and Optical Properties · Figure S18-S20 · Linked to 2 structured results
Charge propagation through Zr(dcphOH-NDI)@FTO is diffusion-limited and combines linker-to-linker NDI electron hopping with counterion/electrolyte transport through the pores.
Caveat: Equivalent diffusion coefficients conflate electron hopping and ion transport; they are not direct electronic conductivities.
main p.6 · Electrochemical and Optical Properties · Figure 7; Figure S17 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| dcphOH-NDI linker | Exact molecular formula not reported in the article text3-hydroxy-2-[7-(4-carboxy-2-hydroxyphenyl)-1,3,6,8-tetraoxo-NDI]benzoic acid. | 0D · Model SystemMolecular redox-active NDI linker used as precursor and solution electrochemical control. | main p.8 · Experimental Section |
| Fluorine-doped tin oxide substrate | FTO | unknown · Model SystemTransparent conducting substrate; 7 ohm/sq. | main p.8 · Materials and Methods |
| Zr(dcphOH-NDI) | Zr(dcphOH-NDI); exact empirical formula not reportedZr6O4(OH)4 UiO/PIZOF-type secondary building units with 12-fold connectivity. · dcphOH-NDI, a redox-active naphthalene diimide dicarboxylate linker bearing hydroxyl groups. | 3D · PristineUiO/PIZOF connectivity with Zr6O4(OH)4 nodes and 2-fold interpenetration, assigned by PXRD comparison to simulated Zr-L6 pattern. | main p.2 · Results and Discussion · Figure 1, Figure S1 reference |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Bare FTOresearch_0445__mat__fto_substrate | Electrode · Pristine Control · Model | Untreated or cleaned FTO electrode measured as aqueous CV control.FTO | SI p.S11 · Figure captions · Figure S18 |
| dcphOH-NDI solution controlresearch_0445__mat__dcphoh_ndi_linker | Model · Model System · Model | 1 mM dcphOH-NDI in DMF for CV/spectroelectrochemistry; 17 mg in NaNO3(aq)/DMF for titration. | main p.8 · Electrochemistry · Figure S10 |
| SAM@FTOresearch_0445__mat__fto_substrate | Electrode · Pristine Control · Model | FTO soaked in 1 mM dcphOH-NDI in DMF overnight or 18 h.FTO · self-assembled monolayer | main p.4 · Thin Film Characterization · Figure S13 |
| Zr(dcphOH-NDI) bulk microcrystalline powderresearch_0445__mat__zr_dcphoh_ndi | Powder · Target Sample · Pristine Framework | Solvothermal powder, solvent exchanged to MeOH and activated under vacuum at 85 deg C for 12 h for sorption. | main p.2 · Synthesis and Characterization · Figure 2 |
| Zr(dcphOH-NDI)@FTO thin filmresearch_0445__mat__zr_dcphoh_ndi | Thin Film · Target Sample · Pristine Framework | MOF film grown solvothermally on SAM-modified FTO; washed with DMF and ethanol and stored/soaked in DMF.FTO · ca. 1 um | main p.4 · Thin Film Characterization · Figure S8 |