Wang Z., Walter L.S., Wang M. et al. · Journal of the American Chemical Society · 2021 · 13624-13632
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 authors conclude neither grain boundaries nor contact resistance are the main limiting factor for Cu2[PcCu-O8] charge transport.
Caveat: Conclusion is based on consistency between local and macroscopic measurements, not a full microscopic transport model.
p. 5 · Charge Transport Properties · Figure 3g,h · Linked to 4 structured results
Cu2[PcCu-O8] adopts preferential edge-on orientation and AA-inclined stacking on the substrate.
Caveat: GIWAXS profile may contain an unresolved angle between basal plane and substrate according to SI Figure S10 caption.
p. 3-4 · Crystallinity and Molecular Orientation · Figure 2 · Linked to 4 structured results
Spectroscopy and elemental analyses support formation of square planar PcCu-O-Cu coordination in Cu2[PcCu-O8], with Cu oxides excluded.
Caveat: No CIF or single-crystal refinement is reported for the thin film; structure assignment combines microscopy, diffraction, spectroscopy, and modelling.
p. 4 · Crystallinity and Molecular Orientation · Figures S5-S8 · Linked to 4 structured results
The resolved lateral conductivity is about 2-3 orders of magnitude higher than vertical conductivity in the edge-on Cu2[PcCu-O8] films.
Caveat: Local c-AFM conductivities are upper estimates and may be overestimated, as stated in the SI.
p. 5-6 · Charge Transport Properties; Conclusion · Figure 3h · Linked to 7 structured results
Air/water interfacial synthesis with preorganised PcM ligands enables edge-on layer-oriented Cu2[PcM-O8] films.
Caveat: PcFe film synthesis route in SI contains a likely ligand-name typo in one sentence.
p. 2 · Introduction · Figure 1a · Linked to 3 structured results
PcCu-OH8 molecules stand with basal planes perpendicular to the water surface, allowing ordered edge-on ligand networks before coordination polymerisation.
Caveat: Orientation is inferred from pi-A area and electron diffraction rather than direct in situ imaging at the interface.
p. 3 · Design, Synthesis, and Characterization · Figure S1; Figure 1b,c · Linked to 3 structured results
Cu2[PcCu-O8] behaves as a p-type semiconductor with thermally activated conductivity and measurable Hall mobility.
Caveat: Macroscopic Hall measurement assumes effective conducting thickness and van der Pauw geometry.
p. 5 · Charge Transport Properties · Figure 3b,c · Linked to 4 structured results
DFT and transport measurements support that intrinsic conductivity is dominated by charge transfer along the interlayer/layer-stacking direction.
Caveat: Calculated conductivity is reported within constant-relaxation-time approximation.
p. 6 · Theoretical Calculation of Electronic Structures · Figure 4 · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cu2[PcCu-O8] | Cu2[PcCu-O8]Square-planar Cu-bis(dihydroxy) linkages plus Cu phthalocyanine centre · (2,3,9,10,16,17,23,24-octahydroxy phthalocyaninato)copper (PcCu-OH8) | 2D · PristineLayered 2D conjugated MOF with preferential edge-on orientation and AA-inclined stacking; square unit cell a = b = 1.81 nm and interlayer distance about 0.33 nm. | p. 3 · Crystallinity and Molecular Orientation · Figure 2 |
| Cu2[PcCu-O8] computational models | Cu2[PcCu-O8]Cu-O4 coordination motifs in monolayer and multilayer stack models · PcCu-O8 model framework | 2D · Model SystemDFT monolayer and AA-inclined multilayer models. | p. 6 · Theoretical Calculation of Electronic Structures · Figure 4 |
| Cu2[PcFe-O8] | Cu2[PcFe-O8]Square-planar Cu-bis(dihydroxy) linkages plus Fe phthalocyanine centre · (2,3,9,10,16,17,23,24-octahydroxy phthalocyaninato)iron (PcFe-OH8) | 2D · PristineLayer-oriented 2D c-MOF film; preferred edge-on orientation with pi-pi stacking distance of 0.31 nm. | p. 4 · Crystallinity and Molecular Orientation · Figure S14 |
| PcCu-OH8 | PcCu-OH8Cu phthalocyanine centre · Octahydroxy phthalocyanine ligand | 0D · UnknownLigand self-assembles into ordered 2D networks with edge-on stacking on water before coordination polymerisation. | p. 3 · Design, Synthesis, and Characterization · Figure 1b,c; Figure S2 |
| PcFe-OH8 | PcFe-OH8Fe phthalocyanine centre · Octahydroxy phthalocyanine ligand | 0D · UnknownLigand precursor with vertical orientation on water inferred from pi-A isotherm. | p. 4 · Crystallinity and Molecular Orientation · Figure S13 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cu2[PcCu-O8] local vertical c-AFM sampleresearch_0061__mat__mat_cu2_pccu_o8 | Thin Film · Target Sample · Composite | Cu2[PcCu-O8] film on silver substrate, probed by PtIr-coated AFM tip50 nm silver layer · Mean film thickness d = 19 +/- 3 nm; local effective height varied about 90-160 nm | SI p. 10-12 · Vertical transport · Schemes S6-S7 |
| Cu2[PcCu-O8] edge-on MOF filmresearch_0061__mat__mat_cu2_pccu_o8 | Thin Film · Target Sample · Pristine Framework | Air/water interfacial film transferred horizontally to substratesTransferred from water surface to h-BN, SiO2/Si, TEM grid, quartz, copper foil, silver, or device substrates depending on measurement · about 20 nm for morphology; about 100 nm for van der Pauw measurements; 20-250 nm for vertical devices | p. 3 · Design, Synthesis, and Characterization · Figures 1 and 2 |
| Cu2[PcCu-O8] local lateral h-BN/FET contact deviceresearch_0061__mat__mat_cu2_pccu_o8 | Thin Film · Target Sample · Composite | Cu2[PcCu-O8] applied on h-BN; Ti/Au contacts patterned by electron-beam lithographyHighly doped Si/300 nm SiO2 with h-BN flake · Step-height measured locally; Scheme S5 gives example positions | SI p. 9-10 · Local characterization of directional charge transport · Figure S19; Scheme S5 |
| PcCu-OH8 self-assembly on waterresearch_0061__mat__mat_pccu_oh8 | Thin Film · Unknown · Unknown | Self-assembled from PcCu-OH8 solution on water before Cu acetate/sodium acetate additionAir/water interface; transferred to substrates for OM/TEM | p. 3 · Design, Synthesis, and Characterization · Figure 1b,c; Figure S2 |
| Cu2[PcCu-O8] macroscopic van der Pauw deviceresearch_0061__mat__mat_cu2_pccu_o8 | Thin Film · Target Sample · Pristine Framework | Square van der Pauw sample; silver wires contacted using silver-conductive glue pasteInsulating substrate with silver-conductive glue contacts · about 100 nm | p. 4 · Charge Transport Properties · Figure 3a |
| Cu2[PcCu-O8] macroscopic vertical deviceresearch_0061__mat__mat_cu2_pccu_o8 | Thin Film · Target Sample · Pristine Framework | Gold contacts evaporated through shadow masks; top-bottom contact geometrySi/SiO2 vertical device stack with evaporated Au top contacts · 20-250 nm | SI p. 9 · Macroscopic vertical devices · Figure S18 |
| Cu2[PcCu-O8] monolayer DFT modelresearch_0061__mat__mat_cu2_pccu_o8_model | Model · Model System · Model | Optimised computational modelNone · Monolayer model with 10 angstrom vacuum normal to monolayer | SI p. 5 · Modeling and electronic structure · Figure 4a |
| Cu2[PcCu-O8] multilayer AA-inclined DFT modelresearch_0061__mat__mat_cu2_pccu_o8_model | Model · Model System · Model | DFT+U multilayer model with Grimme-D2 interlayer dispersionNone · 3D stacked periodic model | SI p. 5 · Modeling and electronic structure · Table S2 |
| Cu2[PcFe-O8] edge-on MOF filmresearch_0061__mat__mat_cu2_pcfe_o8 | Thin Film · Target Sample · Pristine Framework | Prepared under conditions stated to be identical to Cu2[PcCu-O8] filmTransferred film; OM/TEM/HRTEM/SAED substrates · 30 nm in Table S1 | SI p. 27 and p. 37 · Supporting Figures and Tables · Figure S14; Table S1 |
| PcFe-OH8 Langmuir film on waterresearch_0061__mat__mat_pcfe_oh8 | Thin Film · Unknown · Unknown | Compressed Langmuir film for pi-A isothermAir/water interface | SI p. 26 · Supporting Figures and Tables · Figure S13 |