Roh H., Su A.Y., Oh C. et al. · Journal of the American Chemical Society · 2025 · 38419-38427
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.
3EG side chains exceed the useful steric limit for these Ni TAT cMOFs, producing significantly reduced crystallinity/nearly amorphous powders that were excluded from transport interpretation.
Caveat: No first-hand transport values are reported for Ni-3EG.
p019 · Supplementary Discussion · Supplementary Figure 14 · Linked to 1 structured result
Extending from 1EG to 2EG reduces ionic conductivity primarily by pore blocking and reduced Li uptake despite increased polarity.
Caveat: Authors acknowledge other possible effects such as ion trapping or reduced segmental mobility, but treat steric hindrance as most consistent.
p006 · Results and Discussion · Linked to 4 structured results
Positioning ether oxygen atoms away from the conjugated TAT backbone helps preserve π-conjugation and electronic conductivity while tuning pore chemistry.
Caveat: Based on reported DFT band-structure trends and conductivity, not a direct chemical perturbation measurement.
p007 · Results and Discussion · Linked to 5 structured results
Changing Ni to Cu lowers electronic conductivity by about three orders of magnitude because Ni frameworks have stronger in-plane metal-ligand overlap, while Cu systems are more sensitive to interlayer disruption.
Caveat: Mechanistic explanation is inferred from prior literature, DRUV-vis, XPS, and DFT rather than direct mobility measurements.
p005 · Results and Discussion · Linked to 6 structured results
Ni-1EG gives the best mixed ionic-electronic balance because 1EG increases ionophilicity and Li uptake while preserving crystallinity, pore accessibility, interlayer spacing, and electronic conductivity.
Caveat: Best ionic value includes a highest observed value; average ionic conductivity is lower but still highest in series.
p007 · Conclusions · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu-1EG | Cu3(HI1EG3-TAT)2Cu nodes · HI1EG3-TAT / 1EG-substituted hexaaminotriazatruxene | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p002 · Results and Discussion · Scheme 1 |
| Cu-2EG | Cu3(HI2EG3-TAT)2Cu nodes · HI2EG3-TAT / 2EG-substituted hexaaminotriazatruxene | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p002 · Results and Discussion · Scheme 1 |
| Cu-nBu | Cu3(HIBu3-TAT)2Cu nodes · HIBu3-TAT / n-butyl-substituted hexaaminotriazatruxene | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p002 · Results and Discussion · Scheme 1 |
| Ni-1EG | Ni3(HI1EG3-TAT)2Ni nodes · HI1EG3-TAT / 1EG-substituted hexaaminotriazatruxene | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p002 · Results and Discussion · Scheme 1 |
| Ni-2EG | Ni3(HI2EG3-TAT)2Ni nodes · HI2EG3-TAT / 2EG-substituted hexaaminotriazatruxene | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p002 · Results and Discussion · Scheme 1 |
| Ni-3EG attempted framework | Ni3(HI3EG3-TAT)2Ni nodes · HI3EG3-TAT / 3EG-substituted hexaaminotriazatruxene | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p019 · Results and Discussion · Supplementary Figure 14 |
| Ni-nBu | Ni3(HIBu3-TAT)2Ni nodes · HIBu3-TAT / n-butyl-substituted hexaaminotriazatruxene | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p002 · Results and Discussion · Scheme 1 |
| Ni-nOctyl model | Ni3(HI-nOctyl3-TAT)2Ni nodes · n-octyl-substituted triazatruxene linker | 2D · Pristinehexagonal 2D layered conductive MOF based on HATAT/TAT layers | p013 · Results and Discussion · Supplementary Figure 3 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu-1EG computational modelresearch_0294__mat__mat_cu_1eg | Model · Model System · Model | geometry-optimised model | p030 · Results and Discussion · Scheme 1 |
| Cu-1EG pristine powderresearch_0294__mat__mat_cu_1eg | Powder · Target Sample · Pristine Framework | as-synthesised and washed powder | p002 · Results and Discussion · Scheme 1 |
| Cu-2EG pristine powderresearch_0294__mat__mat_cu_2eg | Powder · Target Sample · Pristine Framework | as-synthesised and washed powder | p002 · Results and Discussion · Scheme 1 |
| Cu-nBu pristine powderresearch_0294__mat__mat_cu_nbu | Powder · Target Sample · Pristine Framework | as-synthesised and washed powder | p002 · Results and Discussion · Scheme 1 |
| LiTFSI-Ni-1EGresearch_0294__mat__mat_ni_1eg | Powder · Target Sample · Guest Loaded | soaked in 1 M LiTFSI in propylene carbonate for 3 days, filter-washed and dried | p005 · Results and Discussion · Scheme 1 |
| Ni-1EG computational modelresearch_0294__mat__mat_ni_1eg | Model · Model System · Model | geometry-optimised model | p006 · Results and Discussion · Scheme 1 |
| Ni-1EG pristine powderresearch_0294__mat__mat_ni_1eg | Powder · Target Sample · Pristine Framework | as-synthesised and washed powder | p002 · Results and Discussion · Scheme 1 |
| LiTFSI-Ni-2EGresearch_0294__mat__mat_ni_2eg | Powder · Target Sample · Guest Loaded | soaked in 1 M LiTFSI in propylene carbonate for 3 days, filter-washed and dried | p005 · Results and Discussion · Scheme 1 |
| Ni-2EG computational modelresearch_0294__mat__mat_ni_2eg | Model · Model System · Model | geometry-optimised model | p006 · Results and Discussion · Scheme 1 |
| Ni-2EG pristine powderresearch_0294__mat__mat_ni_2eg | Powder · Target Sample · Pristine Framework | as-synthesised and washed powder | p002 · Results and Discussion · Scheme 1 |
| Ni-3EG attempted powderresearch_0294__mat__mat_ni_3eg_attempt | Powder · Unknown · Unknown | repeated synthesis attempts; nearly amorphous powder | p003 · Results and Discussion · Scheme 1 |
| LiTFSI-Ni-nBuresearch_0294__mat__mat_ni_nbu | Powder · Target Sample · Guest Loaded | soaked in 1 M LiTFSI in propylene carbonate for 3 days, filter-washed and dried | p005 · Results and Discussion · Scheme 1 |
| Ni-nBu computational modelresearch_0294__mat__mat_ni_nbu | Model · Model System · Model | geometry-optimised model | p006 · Results and Discussion · Scheme 1 |
| Ni-nBu pristine powderresearch_0294__mat__mat_ni_nbu | Powder · Target Sample · Pristine Framework | as-synthesised and washed powder | p002 · Results and Discussion · Scheme 1 |
| Ni-nOctyl computational modelresearch_0294__mat__mat_ni_noctyl_model | Model · Model System · Model | Materials Studio Forcite model | p013 · Results and Discussion · Scheme 1 |