Liu J., Yang M., Zhou X. et al. · Journal of the American Chemical Society · 2024 · 33093-33103
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.
Ni3(HITP)2 enables low-energy solid-state electrochemical CO2 capture over 1-100% CO2, with reported energy consumption of 30.5-72.4 kJ mol-1.
Caveat: Energy calculation is based on electrochemical voltage window and Faraday efficiency rather than full process parasitic energy.
33100-33101 · Conclusion · Linked to 3 structured results
The MOF electrode maintains CO2 capture over repeated cycling and shows limited performance loss in O2, humid air, NO2 and SO2 challenge tests.
Caveat: Interference tests are lab-scale pressure-sensor device tests, not long-term flue gas process trials.
33097 · Evaluation of the eCC Performance of the MOF Ni3(HITP)2 · Figures S22-S31 · Linked to 9 structured results
For future large-scale CO2 capture, the authors state that parasitic energy should be considered in addition to the potential-window energy metric used here.
33101 · Conclusion · Linked to 1 structured result
Ni3(HITP)2 combines porous access to Ni-BDI active sites with much higher intrinsic conductivity than the Ni(DIB)2 molecular analogue, improving capacity utilisation and energy efficiency.
Caveat: Conductivity was measured on pressed pellets, whereas eCC uses drop-cast CFP electrodes.
33100 · Conclusion · Linked to 4 structured results
Electrochemical CO2 capture and release likely proceed through reversible carbamate formation between CO2 and the N atom of Ni-BDI units in Ni3(HITP)2.
Caveat: Mechanistic assignment is supported by spectroscopy and DFT; Table S2-S3 values were read from rendered SI pages.
33100 · Conclusion · Figure 5 · Linked to 8 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| 2,3,6,7,10,11-hexaaminotriphenylene hexahydrochloride precursor | HATP.6HClnone · Hexaaminotriphenylene ligand precursor. | 0D · UnknownSynthetic precursor to Ni3(HITP)2. | S5 · 2.2 The Synthesis of 2,3,6,7,10,11-Triphenylenehexamine · Scheme S2 |
| Ni3(HITP)2 conductive metal-organic frameworkBrowse family: Ni₃(HITP)₂ / Ni–HITP | Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2; Ni3(HITP)2Ni(II) centres linked into nickel bis(diimine) / Ni-BDI units. · 2,3,6,7,10,11-hexaiminotriphenylene / HITP from HATP precursor. | 2D · PristineLayered infinite honeycomb porous network with eclipsed packing model; PXRD consistent with simulated pattern. | 33094 · Introduction · Figure 1 |
| Ni3(HITP)2 reduced/adduct DFT model systemsBrowse family: Ni₃(HITP)₂ / Ni–HITP | Ni3(HITP)2, [Ni3(HITP)2]3-, [Ni3(HITP)2-3CO2]3-Model Ni-BDI units in the Ni3(HITP)2 framework. · HITP framework linker in periodic/modelled structure. | 2D · Model SystemDFT model used for charges, electrostatic potential and CO2 adduct energetics. | S34 · 12.4 Computation Details · Figures S43-S47 |
| Nickel bis(o-diiminebenzene) molecular analogue | Ni(DIB)2Molecular Ni-BDI nickel centre. · o-diiminebenzene / o-phenylenediamine-derived ligands. | 0D · Model SystemMolecular analogue containing the same Ni-BDI unit as Ni3(HITP)2; PXRD and NMR compared with literature. | 33094 · Material Synthesis and Characterization · Scheme 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| HATP·6HCl ligand precursorresearch_0210__mat__mat_hatp_6hcl | Powder · Composite Component · Unknown | Isolated ligand precursor from the reported multistep preparation. | S5-S6 · 2.2 The Synthesis of 2,3,6,7,10,11-Triphenylenehexamine · Scheme S2 |
| Activated Ni3(HITP)2 for N2 sorptionresearch_0210__mat__mat_ni3_hitp2 | Powder · Target Sample · Pristine Framework | Soaked successively in H2O and ethanol at 40 C for 12 h with solvent exchange every 2 h; vacuum dried at 80 C for 18 h. | S12 · 7. Brunauer-Emmett-Teller Analysis · Figure S10 |
| Ni3(HITP)2 recovered after capture-release cyclingresearch_0210__mat__mat_ni3_hitp2 | Powder · Target Sample · Pristine Framework | Sonicated off CFP; washed with DMSO, ethanol and acetone; dried at 40 C under vacuum for 1 h.Stripped from carbon fibre paper before analysis | S28 · 11. Electrode Materials Before and After Test · Figures S30-S31 |
| Ni3(HITP)2 on carbon fibre paper eCC electroderesearch_0210__mat__mat_ni3_hitp2 | Electrode · Target Sample · Pristine Framework | 20 mg Ni3(HITP)2 dispersed in 1 mL ethanol by 30 min sonication, drop-cast onto CFP, vacuum dried 20 min.Carbon fibre paper (CFP) | S18 · 10.3 Cyclic CO2 Capture and Release of Ni3(HITP)2 |
| Ni3(HITP)2 CV electrode on carbon fibre paperresearch_0210__mat__mat_ni3_hitp2 | Electrode · Target Sample · Pristine Framework | 5 mg Ni3(HITP)2 dispersed in 2 mL ethanol by 30 min sonication and drop-cast onto CFP; vacuum dried 20 min.Carbon fibre paper (CFP) | S13-S14 · 9.2 Cyclic Voltammogram Tests for Ni3(HITP)2 · Figure S13 |
| Ni3(HITP)2 DFT model setresearch_0210__mat__mat_ni3_hitp2_dft_model | Model · Model System · Model | GGA-PBE/Dmol3 computational models of neutral, reduced and CO2 adduct states. | S34 · 12.4 Computation Details |
| Ni3(HITP)2 pressed pelletresearch_0210__mat__mat_ni3_hitp2 | Pellet · Pristine Control · Pristine Framework | 10-20 mg powder pressed 5 min at 1500 psi in a 6 mm split sleeve die.pressed pellet diameter 6 mm; probe spacing 3 mm | S11 · 6. Conductivity Measurement · Figure S9 |
| As-synthesised Ni3(HITP)2 dark-blue powderresearch_0210__mat__mat_ni3_hitp2 | Powder · Target Sample · Pristine Framework | Filtered precipitate washed with water, ethanol and acetone, then house-vacuum dried for 6 h. | S6-S7 · 2.3 The Synthesis of the MOF Ni3(HITP)2 |
| Ni(DIB)2-carbon black composite electroderesearch_0210__mat__mat_ni_dib2 | Electrode · Composite Sample · Composite | 13.5 mg Ni(DIB)2 and 13.5 mg carbon black in 1 mL ethanol sonicated 30 min and drop-cast on CFP.Carbon fibre paper | S16 · 10.2 Cyclic CO2 Capture and Release of Ni(DIB)2 · Figure S16 |
| Ni(DIB)2 pressed pelletresearch_0210__mat__mat_ni_dib2 | Pellet · Pristine Control · Model | 10-20 mg material pressed 5 min at 1500 psi.pressed pellet diameter 6 mm; probe spacing 3 mm | S11 · 6. Conductivity Measurement · Figure S9 |
| Ni(DIB)2 crystals/powderresearch_0210__mat__mat_ni_dib2 | Powder · Pristine Control · Model | Deep blue to bluish-black crystals collected after Soxhlet extraction, washed with acetone and vacuum dried. | S4 · 2.1 The Synthesis of Ni(DIB)2 · Scheme S1 |
| Ni(DIB)2 solution electrochemical controlresearch_0210__mat__mat_ni_dib2 | Unknown · Model System · Model | Ni(DIB)2 dissolved in DMF or DMSO with supporting electrolyte for CV, reduction and spectroscopy. | S13-S15 · 9.1 and 10.1 · Figures S12-S15 |