Lv Y., Su J., Gu Y. et al. · JACS Au · 2022 · 2765-2777
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.
In8 largely retains PXRD, FT-IR and XPS signatures after catalysis, but some yield-rate loss is attributed to physical shedding from carbon paper.
Caveat: Stability is post-catalysis characterisation of recovered electrode powder; electrode adhesion remains a practical limitation.
main p.9, article p.2773 · Performance · Figs. S53-S55 · Linked to 2 structured results
In8 integrates high-density indium active sites, redox-active ligand-mediated electron conductivity, high proton conductivity and confined micropores, giving superior NO3RR performance relative to In4 and 3D In-MOF controls.
Caveat: The application electrode is a carbon-paper/Nafion composite, so catalytic performance is not a standalone bulk-transport measurement of pristine In8.
main p.1-2, article pp.2765-2766 · Abstract/Introduction · Linked to 6 structured results
The much higher proton conductivity of In8 than In4 is identified as a key reason for faster multiproton nitrate-to-ammonia conversion.
Caveat: Correlation is supported by controls, but catalytic electrodes also differ in pore architecture and active-site environment.
main p.7, article p.2771 · Performance of Multifunctional MOF · Fig. S41 · Linked to 4 structured results
DFT predicts nitrate adsorption at the ligand-dissociated In site is more favourable than H adsorption, supporting NO3RR selectivity over HER at pH 2-3.
Caveat: DFT uses a periodic model and not the full electrochemical interface; solvent/electrolyte effects are simplified.
main p.9, article p.2773 · DFT Investigations · Fig. 5 · Linked to 3 structured results
A pH-dependent dynamic ligand dissociation mechanism creates reversible InII active sites for nitrate adsorption while preserving the MOF lattice under optimal pH 2-3 conditions.
Caveat: At pH 1 the paper reports partial destruction/collapse, so the mechanism is most reliable at pH 2-3.
main p.5-6, article pp.2769-2770 · pH Dependence · Fig. 2k · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Non-MOF electrocatalysis controls | Carbon paper, In(OAc)3, In(NO3)3, Cu(OAc)2, isolated In8/In4 ligandsNot a framework material. · Not applicable or isolated organic ligand controls. | unknown · UnknownControl samples used to separate MOF framework effects from carbon paper, free indium ions, copper ions, and ligands. | main p.7, article p.2771 · Performance of Multifunctional MOF · Figs. S35-S51 |
| 3D In-MOF | [(TTFTB)In].(CH3NH2CH3).0.7(C2H5OH).(C3H7ON); elemental formula reported as C16.4H19.2InN2O9.7S4Indium carboxylate [In(COO)4]- nodes. · H4TTFTB / TTFTB tetrathiafulvalene tetrabenzoate ligand. | 3D · PristineTwofold interpenetrated 3D In-MOF with channel diameter about 4 A and flexible framework; PXRD agrees with calculated pattern. | main p.4, article p.2768 · Ligand and Structural Design Strategy · Figs. S3, S4, S9 |
| 2D In-MOF In4 | [(CH3)2NH2][In(m-TTFTB)] / In4; elemental formula reported as C39H71N2O29S4InIndium carboxylate [In(COO)4]- nodes. · m-H4TTFTB / m-TTFTB tetrathiafulvalene tetrabenzoate ligand, with 4,4'-bipyridine used in synthesis. | 2D · PristineRigid 2D sheet framework with limited layer-layer interaction in stacked structure; PXRD agrees with calculated pattern. | main p.4, article p.2768 · Ligand and Structural Design Strategy · Figs. S5, S6, S10 |
| Periodic DFT model of In8 | Periodic In8 model cell 37.1 x 13.4 x 17.8 A3In centres in the In8 periodic framework model. · H4TTFOC4- / TTFOC-derived ligand environment in the model. | 2D · Model SystemPeriodic boundary-condition model used for NO3RR and HER free-energy calculations. | main p.10, article p.2774 · DFT Calculations |
| 2D In-MOF In8 | [(CH3)2NH2][In(TTFOC)] / In8; elemental formula reported as C45H89N6O34S4InIndium carboxylate [In(COO)4]- nodes with atomically dispersed In sites; in situ ligand dissociation forms InII active sites during NO3RR. · Redox-active tetrathiafulvaleneoctacarboxylate ligand H8TTFOC/TTFOC with uncoordinated carboxylic acid groups. | 2D · PristineRigid 2D porous In-MOF with b-direction channels of about 4 and 5 A and c-direction rectangular channels of about 8 x 10 A and 6 x 10 A; PXRD agrees with calculated pattern. | main p.2-4, article pp.2766-2768 · Results and Discussion · Fig. 1; Figs. S7-S11 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 3D In-MOF catalyst ink on carbon paper electroderesearch_0538__mat__in3d_mof | Electrode · Pristine Control · Composite | Prepared by the general catalyst-ink/drop-cast protocol for electrochemical measurements.Carbon paper with Nafion-containing catalyst ink. · Mass loading ca. 0.5 mg cm-2 unless otherwise specified. | main p.7, article p.2771 · Performance of Multifunctional MOF · Figs. S42-S44 |
| As-synthesised 3D In-MOF red octahedral crystals/powderresearch_0538__mat__in3d_mof | Single Crystal · Pristine Control · Pristine Framework | Red octahedral crystals obtained by solvothermal synthesis, filtered and washed; used as structural/electrochemical control. | SI p.2 · Synthesis of compound 3D In-MOF |
| In4 catalyst ink on carbon paper electroderesearch_0538__mat__in4_mof | Electrode · Pristine Control · Composite | Prepared by the general catalyst-ink/drop-cast protocol for electrochemical measurements.Carbon paper with Nafion-containing catalyst ink. · Mass loading ca. 0.5 mg cm-2 unless otherwise specified. | main p.7, article p.2771 · Performance of Multifunctional MOF · Figs. S38-S41 |
| As-synthesised In4 red block crystals/powderresearch_0538__mat__in4_mof | Single Crystal · Pristine Control · Pristine Framework | Red block crystals obtained by solvothermal synthesis, filtered and washed; powdered for PXRD, CV and proton conductivity characterisation. | SI p.2 · Synthesis of compound In4 |
| In8 catalyst ink on carbon paper electroderesearch_0538__mat__in8_mof | Electrode · Target Sample · Composite | 5 mg catalyst dispersed in IPA, mixed with Nafion, sonicated, drop-cast and dried at room temperature.Carbon paper, practical immersed area 1 x 1 cm2; catalyst ink includes IPA and Nafion binder. · Catalyst mass loading ca. 0.5 mg cm-2 unless otherwise specified; optimised loadings 3-4 mg cm-2 also reported. | SI p.6-7 · Electro-catalytic nitrate reduction measurements |
| As-synthesised In8 red block crystals/powderresearch_0538__mat__in8_mof | Single Crystal · Target Sample · Pristine Framework | Red block crystals obtained by solvothermal synthesis, filtered and washed; powdered for PXRD, Raman, EPR and conductivity characterisation. | SI p.2-3 · Synthesis of compound In8 |
| Periodic In8 DFT model for NO3RR/HERresearch_0538__mat__in8_dft_model | Model · Model System · Model | VASP/PBE-D model with PBC and 1 x 2 x 1 k-point mesh.not_applicable · Periodic cell 37.1 x 13.4 x 17.8 A3. | SI p.9-12 · DFT calculations · Fig. S1; Figs. S60-S62 |
| In8 free-standing film on insulated on-chip ETS deviceresearch_0538__mat__in8_mof | Thin Film · Target Sample · Composite | Free-standing In8 film assembled by co-solvent evaporation from ethanol/water/n-butanol suspension, transferred to patterned substrate, PMMA windows opened by EBL.p++ Si wafer with 300 nm thermal oxide and pre-patterned Ti/Au electrodes (20/50 nm); PMMA insulating layers. · Electrochemical windows set to 20 um x 40 um; film thickness not reported. | SI p.5 · Fabrication of the In8 MOF devices · Fig. S63 |
| Carbon paper, free ion, ligand and Cu(OAc)2 control electrodesresearch_0538__mat__control_non_mof | Electrode · Pristine Control · Unknown | Controls tested under the same NO3RR electrochemical protocol.Carbon paper where applicable. · Mass loading comparable to MOF catalyst electrodes where specified. | main p.7-8, article pp.2771-2772 · Performance of Multifunctional MOF · Figs. S35-S51 |