Liu M., Liu K., Yan Z. et al. · Journal of Materials Chemistry A · 2026 · 4444-4452
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.
The photothermal effect accelerates photocatalytic pollutant degradation by adding thermal energy and lowering reaction barriers.
Caveat: Application result; not a direct intrinsic electronic transport measurement.
main p.5, article p.4448 · Results and discussion · Fig. 4c-e · Linked to 5 structured results
The paper is relevant to charge transport through EIS, photocurrent and DFT electronic structure, but it does not report direct electrical conductivity, Hall mobility, Seebeck coefficient, or thermoelectric power factor.
Caveat: Search of main and SI text found no direct conductivity or thermoelectric methods/results.
main p.2, article p.4445 · Results and discussion · Figs. S6 and S7 · Linked to 3 structured results
Ac@[Ca-NDI] MOCF retains some photocatalytic activity after cycling, but PXRD after three cycles indicates partial framework degradation.
Caveat: Cycling degradation is qualitative in the extracted text; no numerical retained activity percentage is given.
main p.6, article p.4449 · Results and discussion · Figs. S24 and S25 · Linked to 1 structured result
Acridine was incorporated/confined within the Ca-NDI MOF framework to form Ac@[Ca-NDI] MOCF rather than a separate cocrystal phase.
Caveat: Formula and XPS support incorporation; activation/workup details after crystal isolation are not described.
main p.2, article p.4445 · Results and discussion · Figs. 1c and S5 · Linked to 3 structured results
Confining acridine in Ca-NDI narrows the optical bandgap and extends absorption into the near-infrared region, enabling strong photothermal conversion.
Caveat: Photothermal conversion is strong, but NIR alone does not provide substantial photocatalytic radical generation according to the authors.
main p.3, article p.4446 · Results and discussion · Fig. 3a-b · Linked to 4 structured results
Shorter Ac-H4BINDI stacking distances and donor-acceptor charge-transfer interactions reduce carrier transport resistance and improve charge transport efficiency.
Caveat: EIS and photocurrent support the trend, but no direct DC conductivity, mobility, Hall, or thermoelectric measurement is reported.
main p.2, article p.4445 · Results and discussion · Figs. S6 and S7 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Ac@[Ca-NDI] MOCF | C76H36Ca4N6O25Calcium-oxygen clusters / Ca nodes retained from Ca-NDI MOF. · H4BINDI framework linker plus confined acridine (Ac) donor molecule. | 3D · PristineMetal-(organic cocrystal) framework single crystal; acridine molecules confined between H4BINDI layers in Ca-NDI MOF, forming donor-acceptor charge-transfer stacks. | main p.1, article p.4444 · Abstract |
| DFT model of Ac@[Ca-NDI] MOCF | Model based on Ac@[Ca-NDI] MOCF primitive cellModelled Ca-O framework nodes. · Modelled H4BINDI framework plus acridine. | 3D · Model SystemPrimitive-cell DFT model used for electronic structure, PDOS, VBM and CBM calculations. | SI p.6 · Computational Details |
| Ca-NDI MOF | Not specifiedCalcium-oxygen clusters / Ca nodes. · H4BINDI, a naphthalenediimide-based tetracarboxylic acid linker. | 3D · PristineDual network interpenetrating Ca-NDI MOF single crystal with adjacent H4BINDI layers arranged face-to-face and about 9.9 A ligand spacing. | main p.2, article p.4445 · Results and discussion · Fig. 1 and Fig. S2 |
| DFT model of Ca-NDI MOF | Model based on Ca-NDI MOF primitive cellModelled Ca-O framework nodes. · Modelled H4BINDI framework linker. | 3D · Model SystemPrimitive-cell DFT model used as the pristine computational control. | SI p.6 · Computational Details |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Ac@[Ca-NDI] MOCF DFT primitive-cell modelresearch_0562__mat__ac_ca_ndi_mocf_model | Model · Model System · Model | PBE-D3/PAW/VASP geometric optimisation and electronic-structure calculation. | SI p.6 · Computational Details |
| Ac@[Ca-NDI] MOCF powderresearch_0562__mat__ac_ca_ndi_mocf | Powder · Target Sample · Guest Loaded | Powder used for photothermal and photocatalytic tests; 90 mg powder for 808 nm laser experiment and 30 mg dispersed in water for Xe lamp experiment. | SI pp.4-5 · Photothermal Experiments |
| Ac@[Ca-NDI] MOCF dark-green block single crystalsresearch_0562__mat__ac_ca_ndi_mocf | Single Crystal · Target Sample · Guest Loaded | Dark green block crystals obtained by one-step solvothermal synthesis with excess acridine. | SI p.3 · Synthesis of Ac@[Ca-NDI] MOCF · Fig. S3 |
| Ca-NDI MOF DFT primitive-cell modelresearch_0562__mat__ca_ndi_mof_model | Model · Model System · Model | PBE-D3/PAW/VASP geometric optimisation and electronic-structure calculation. | SI p.6 · Computational Details |
| Ca-NDI MOF powder or bulk sampleresearch_0562__mat__ca_ndi_mof | Powder · Pristine Control · Pristine Framework | Control sample used for PXRD, XPS, EIS, photocurrent, UV-vis, TGA and photocatalysis comparisons. | main pp.2-6, article pp.4445-4449 · Results and discussion · Figs. 1, 3, 4 and S5-S7 |
| Ca-NDI MOF yellow block single crystalsresearch_0562__mat__ca_ndi_mof | Single Crystal · Pristine Control · Pristine Framework | Yellow block crystals obtained by solvothermal synthesis and slow cooling. | SI p.3 · Synthesis of Ca-NDI MOF · Fig. S1 |