Chen G., Li Z., Huang Z. et al. · ACS Nano · 2023 · 9611-9621
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.
Most M1-M2OAPc MOFs are assigned as isostructural 2D layered frameworks with an AA-eclipsed Cu-CuOAPc structural model; Cu-CuOAPc refines to tetragonal P4/mmm with a = 18.330(8) A and c = 3.20(27) A.
Caveat: Co-CoOAPc has weak/shifted XRD and could not be matched to the structure model.
9613 · Synthesis and Structural Characterization · Figure 1; Table S2 · Linked to 3 structured results
Ni-NiOAPc is the most conductive of the nine M1-M2OAPc combinations, reaching 54.3 +/- 4.8 mS/cm and more than 400-fold higher conductivity than Cu-CuOAPc.
Caveat: Conductivity is measured on cold-pressed polycrystalline pellets, so grain boundaries and crystallinity affect the apparent value.
9611 · Abstract · Linked to 2 structured results
Both metal sites matter but with different roles: the node metal controls reaction kinetics, particle size and crystallinity and strongly affects HOMO; the ligand metal more strongly affects optical bandgap.
Caveat: Based on comparative trends across the nine-member family.
9616,9619 · Results and Conclusion · Figure 5; Figure 6 · Linked to 4 structured results
The M1 metal node strongly affects formation kinetics: Ni-node CuOAPc formation is slowest (~4 h), Co is intermediate (~30 min), and Cu is fastest (~5 min), correlating slower growth with larger particles and higher crystallinity.
Caveat: Kinetics were assessed qualitatively by UV-vis-NIR absorbance ratios; authors recommend more quantitative in situ methods such as SAXS.
9613-9614 · Qualitative Comparison of M1-CuOAPc Formation Rate · Figure 3 · Linked to 4 structured results
The high conductivity of Ni-NiOAPc is attributed primarily to high crystallinity and larger particle/crystallite size rather than the smallest bandgap or highest intrinsic mobility.
Caveat: DFT treats ideal monolayers and does not include real crystallinity differences.
9611 · Abstract · Linked to 4 structured results
DFT suggests Co-containing ideal monolayers should offer small bandgaps and favourable hole transport, but experimentally Co-containing samples underperform because low crystallinity and mixed Co(+2/+3) valency hinder stacked-framework quality.
Caveat: The charge-carrier type of very narrow-gap Cu-M2 systems is difficult to determine by DFT alone; magnetic orders may further affect Co systems.
9618-9619 · Theoretical Study / Conclusion · Table 2 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co-CoOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Co · Co-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model; Co-CoOAPc showed weak/shifted XRD and poor crystallinity | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Co-CuOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Co · Cu-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Co-NiOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Co · Ni-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Cu-CoOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Cu · Co-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Cu-CuOAPc 2D conductive metal-organic framework | C32Cu3N16M1 node = Cu · Cu-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · PristineTetragonal P4/mmm AA-eclipsed layered 2D cMOF; a = 18.330(8) A, c = 3.20(27) A, Z = 1; representative structural model for the family | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Cu-NiOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Cu · Ni-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Ni-CoOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Ni · Co-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Ni-CuOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Ni · Cu-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Ni-NiOAPc 2D conductive metal-organic framework | Not specifiedM1 node = Ni · Ni-2,3,9,10,16,17,23,24-octaaminophthalocyanine (M2OAPc) linker | 2D · Pristine2D square-planar amino-coordinated phthalocyanine cMOF; isostructural layered M1-M2OAPc family with AA-eclipsed Cu-CuOAPc structural model | 9612-9613 · Results and Discussion / Synthesis and Structural Characterization · Scheme 1; Figure 1 |
| Metal-OAPc ligand-precursor family | Not specified | 0D · Derived | 9619 · Methods / Syntheses of Metal(II) octaaminophthalocyanine ligand |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Co-CoOAPc powder and cold-pressed pelletresearch_0337__mat__CoCoOAPc | Powder · Target Sample · Pristine Framework | solvothermal synthesis in DMF at 60 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S4 · Methods / Co-CoOAPc synthesis |
| Co-CoOAPc monolayer DFT modelresearch_0337__mat__CoCoOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Co-CuOAPc powder and cold-pressed pelletresearch_0337__mat__CoCuOAPc | Powder · Target Sample · Mixed Metal | solvothermal synthesis in DMF at 60 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S3 · Methods / Co-CuOAPc synthesis |
| Co-CuOAPc monolayer DFT modelresearch_0337__mat__CoCuOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Co-NiOAPc powder and cold-pressed pelletresearch_0337__mat__CoNiOAPc | Powder · Target Sample · Mixed Metal | solvothermal synthesis in DMF at 60 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S3 · Methods / Co-NiOAPc synthesis |
| Co-NiOAPc monolayer DFT modelresearch_0337__mat__CoNiOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Cu-CoOAPc powder and cold-pressed pelletresearch_0337__mat__CuCoOAPc | Powder · Target Sample · Mixed Metal | solvothermal synthesis in DMF at 60 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S2 · Methods / Cu-CoOAPc synthesis |
| Cu-CoOAPc monolayer DFT modelresearch_0337__mat__CuCoOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Cu-CuOAPc powder and cold-pressed pelletresearch_0337__mat__CuCuOAPc | Powder · Target Sample · Pristine Framework | solvothermal synthesis in DMA at 70 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S2 · Methods / Cu-CuOAPc synthesis |
| Cu-CuOAPc monolayer DFT modelresearch_0337__mat__CuCuOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Cu-NiOAPc powder and cold-pressed pelletresearch_0337__mat__CuNiOAPc | Powder · Target Sample · Mixed Metal | solvothermal synthesis in DMA at 70 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S2 · Methods / Cu-NiOAPc synthesis |
| Cu-NiOAPc monolayer DFT modelresearch_0337__mat__CuNiOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Ni-CoOAPc powder and cold-pressed pelletresearch_0337__mat__NiCoOAPc | Powder · Target Sample · Mixed Metal | solvothermal synthesis in DMF at 60 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S3-S4 · Methods / Ni-CoOAPc synthesis |
| Ni-CoOAPc monolayer DFT modelresearch_0337__mat__NiCoOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Ni-CuOAPc powder and cold-pressed pelletresearch_0337__mat__NiCuOAPc | Powder · Target Sample · Mixed Metal | solvothermal synthesis in DMF at 70 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S3 · Methods / Ni-CuOAPc synthesis |
| Ni-CuOAPc monolayer DFT modelresearch_0337__mat__NiCuOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Ni-NiOAPc powder and cold-pressed pelletresearch_0337__mat__NiNiOAPc | Powder · Target Sample · Pristine Framework | solvothermal synthesis in DMF at 70 C for 4 h; vacuum-dried overnight at 60 C; cold-isostatic pressed pellet for conductivityconductivity pellet approximately 200-300 um thick, 1/4 inch diameter | S3 · Methods / Ni-NiOAPc synthesis |
| Ni-NiOAPc monolayer DFT modelresearch_0337__mat__NiNiOAPc | Model · Model System · Model | VASP/PBE/DFT+U spin-polarised periodic monolayer modelmonolayer with 15 A out-of-plane vacuum | S4 · DFT calculation details · Figure 9; Table 2; Table S7 |
| Metal-OAPc ligand precursor familyresearch_0337__mat__mat_moapc_ligand_precursor | Unknown · Composite Component · Unknown | composite_component | 9619 · Methods / Syntheses of Metal(II) octaaminophthalocyanine ligand |