Pattengale B., Freeze J.G., Guberman-Pfeffer M.J. et al. · Chemical Science · 2020 · 9593-9603
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.
Conductive Zn2TTFTB MOF photoanode architectures may be useful for slow photocatalytic oxidation reactions because the MOF array extends hole lifetime and inhibits recombination.
Caveat: The paper demonstrates charge separation/photophysics, not a full catalytic water-oxidation performance metric.
9601 · Conclusions · Linked to 2 structured results
Zn2TTFTB forms as a pure phase on FTO, TiO2 and ZrO2 under the film-growth conditions.
Caveat: Films diffract weakly because the roughly 20 um films are thin/discontinuous, so EXAFS is used for local-structure confirmation.
9594 · Zn2TTFTB structural characterization · Figure 2; Table 1 · Linked to 4 structured results
The 600-800 nm absorption feature in Zn2TTFTB is attributed to cation/radical doping rather than simple ligand stacking.
Caveat: The as-synthesised material is inferred to be partially cation doped in air; EPR evidence is cited from prior work.
9597 · UV-visible Electronic Characterization · Figure 5; Figure S12 · Linked to 2 structured results
Zn2TTFTB-TiO2 exhibits instrument-response-limited ultrafast electron injection into TiO2, consistent with interfacial electron-transfer simulations.
Caveat: OPTP reports transient photoconductivity rather than a direct steady-state electron-injection current.
9599 · Zn2TTFTB as a photosensitizing array · Figure 8; Figure S13 · Linked to 3 structured results
Holes migrate through strongly coupled S-rich TTF cores while electrons transfer through more weakly coupled peripheral phenyl groups, giving spatially distinct carrier pathways.
Caveat: The pathway assignment is based on model systems and wavepacket/coupling calculations, not a direct spatially resolved experimental measurement.
9601 · Charge transport in Zn2TTFTB · Figure 11; Figure S22 · Linked to 3 structured results
Recombination of the interfacially separated electron-hole pair is slower in MOF-sensitized Zn2TTFTB-TiO2 than in ligand-sensitized TiO2.
Caveat: The long-lived 74.8 us component is obtained from an added exponential term for the MOF sample.
9600 · Zn2TTFTB as a photosensitizing array · Figure 9; Table 3 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| H4TTFTB ligand | H4TTFTB; tetrathiafulvalene tetrabenzoic acidtetrathiafulvalene tetrabenzoic acid | 0D · UnknownMolecular linker precursor and ligand-only photosensitiser/control. | S2 · H4TTFTB Synthesis |
| H4TTFTB-on-TiO2 model | H4TTFTB adsorbed on TiO2 slabTiO2 slab in model; no Zn nodes · H4TTFTB / TTFTB ligand with carboxylate binding groups | 0D · Model SystemComputational model for interfacial electron transfer in flat, long and tall orientations on periodic TiO2. | S5 · Interfacial Electron Transfer · Figure S13 |
| TTFTB-sensitized TiO2 | TTFTB ligand on TiO2TiO2 substrate only; no Zn2TTFTB framework nodes · carboxylate-bearing TTFTB ligand | 0D · CompositeLigand-sensitized TiO2 analogue lacking the extended MOF architecture. | 9598 · Zn2TTFTB as a photosensitizing array · Figure 8 |
| Zn2TTFTBBrowse family: Zn₂(TTFTB) | Zn2TTFTB; TTFTB = tetrathiafulvalene tetrabenzoateZn2+ nodes; two nonequivalent Zn sites with pseudo-octahedral or distorted octahedral oxygen coordination · tetrathiafulvalene tetrabenzoate (TTFTB) | 3D · PristineConductive MOF with crystallographically oriented, columnar TTFTB stacks; adjacent TTFTB ligands rotate 60 degrees and pXRD peaks at 9.3 and 10.2 degrees 2theta confirm pure-phase film formation on the studied substrates. | 9594 · Zn2TTFTB structural characterization · Figure 1; Figure 2a |
| Zn2TTFTB model systemsBrowse family: Zn₂(TTFTB) | 1-layer and 3-layer Zn2TTFTB cutouts; six-layer TTFTB stack modelZn2+ in 1-layer and 3-layer cutouts; Zn nodes replaced by capping hydrogens in six-layer dynamics model · TTFTB ligands | 3D · Model SystemComputational models cut from the Zn2TTFTB crystal structure and used for orbital, spin-density and charge-dynamics calculations. | S4 · MOF Construction · Figure 1; Figure S19 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| H4TTFTB powderresearch_0678__mat__mat_h4ttftb | Powder · Pristine Control · Unknown | Solid ligand powder used for diffuse-reflectance UV-visible-NIR comparison. | 9597 · UV-visible Electronic Characterization · Figure S8 |
| H4TTFTB in DMF/TBAPF6 electrolyteresearch_0678__mat__mat_h4ttftb | Unknown · Pristine Control · Unknown | Molecular ligand dissolved in 0.1 M TBAPF6 DMF electrolyte for CV and spectroelectrochemistry. | 9596 · UV-visible Electronic Characterization · Figure 4 |
| H4TTFTB on TiO2 interfacial modelresearch_0678__mat__mat_h4ttftb_tio2_model | Model · Model System · Model | Flat, long and tall ligand orientations with two carboxylates embedded into TiO2.periodic TiO2 slab | S5 · Interfacial Electron Transfer · Figure S13 |
| six-layer TTFTB stack modelresearch_0678__mat__mat_znttftb_models | Model · Model System · Model | Zn nodes replaced with capping hydrogens; GNF2-XTB NVT trajectories and wavepacket propagation.six-layer stack, one unit cell from the crystal structure | S5 · Interlayer Electron /Hole dynamics · Figure S21; Figure S22 |
| TTFTB-sensitized TiO2research_0678__mat__mat_ttftb_tio2_control | Electrode · Pristine Control · Composite | Ligand-sensitized TiO2 analogue lacking extended Zn2TTFTB MOF architecture.TiO2 on quartz for OPTP/ns-TA; exact sensitisation recipe not detailed in supplied text | 9598 · Zn2TTFTB as a photosensitizing array · Figure 8; Table 2 |
| 1-layer Zn2TTFTB modelresearch_0678__mat__mat_znttftb_models | Model · Model System · Model | Cut from optimised unit cell and truncated/capped for computation.single TTFTB ligand coordinated to Zn2+ nodes | 9594 · Zn2TTFTB structural characterization · Figure 1c; Figure 10 |
| 3-layer Zn2TTFTB modelresearch_0678__mat__mat_znttftb_models | Model · Model System · Model | Cut from optimised unit cell for computation.half-unit cell consisting of a columnar stack of TTFTB ligands | 9594 · Zn2TTFTB structural characterization · Figure 1a,b; Figure S19 |
| Zn2TTFTB-FTOresearch_0678__mat__mat_znttftb | Thin Film · Target Sample · Composite | Zn2TTFTB grown directly on FTO; used for electrochemical and photoelectrochemical investigations of the MOF layer.FTO (fluorine-doped tin oxide) · roughly 20 um films investigated herein; microflower features also roughly 20 um | 9594 · Results and discussion · Figure 4 |
| Zn2TTFTB powder, film-growth conditionsresearch_0678__mat__mat_znttftb | Powder · Pristine Control · Pristine Framework | Powder prepared under film-growth conditions, without excess water and with larger Zn:TTFTB ratio than standard synthesis. | 9595 · Zn2TTFTB structural characterization · Figure S2; Table 1 |
| Zn2TTFTB powder, standard synthesisresearch_0678__mat__mat_znttftb | Powder · Pristine Control · Pristine Framework | Powder prepared under the previously reported synthetic procedure without modification. | 9595 · Zn2TTFTB structural characterization · Figure 2; Table 1 |
| Zn2TTFTB-TiO2 photoanoderesearch_0678__mat__mat_znttftb | Electrode · Target Sample · Composite | Zn2TTFTB grown directly on mesoporous TiO2; used as MOF-sensitized photoanode.mesoporous TiO2 on FTO for general photoanode work; TiO2 on quartz for OPTP · roughly 20 um Zn2TTFTB films investigated; mesoporous TiO2 thickness not reported | 9594 · Results and discussion · Figure 3; Figure 8; Table 2 |
| Zn2TTFTB-ZrO2 control filmresearch_0678__mat__mat_znttftb | Thin Film · Pristine Control · Composite | Zn2TTFTB grown on ZrO2 as a non-injecting control medium.ZrO2 on FTO or quartz depending on experiment · not separately reported | 9594 · Results and discussion · Figure S16 |