Exceptionally high charge mobility in phthalocyanine-based poly(benzimidazobenzophenanthroline)-ladder-type two-dimensional conjugated polymers

3materials

11samples

4synthesis routes

26measurements

74results

7claims and caveats

Evidence map

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Computational Modelling5 measurements30 results →Electrical Transport7 measurements22 results →Diffraction Structure3 measurements7 results →Spectroscopy4 measurements7 results →Microscopy Morphology5 measurements6 results →Porosity2 measurements2 results →

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

Application RelevanceSupport assessment: Medium

2DCP-CuPc retains its PXRD pattern after solvent, acid and base soaking, supporting high chemical stability of the pristine framework.

Caveat: Only qualitative PXRD retention is reported; no numerical crystallinity-retention value is given. | Schema-normalised claim_type from 'stability' to 'application_relevance'; the original controlled-label wording is retained here.

S39 · Supplementary Figure 45 caption · Supplementary Fig. 45 · Linked to 1 structured result

CaveatSupport assessment: High

As-prepared 2DCP films show negligible background charge-carrier density without optical excitation, so reported mobilities are photocarrier THz mobilities rather than dark dc conductivities.

Caveat: No contacted dark conductivity value was reported.

S51 · Supplementary Figure 59 discussion · Supplementary Fig. 59

Phase AssignmentSupport assessment: High

PXRD and Pawley refinements support crystalline slipped-AA-stacked structures for both 2DCP-CuPc and 2DCP-NiPc.

Caveat: Assignment is based on powder diffraction modelling rather than single-crystal diffraction.

881 · Synthesis and characterizations of 2DCPs · Fig. 2c,d · Linked to 6 structured results

Structure Property LinkSupport assessment: High

The BBL-ladder-type imidazole linkage produces stronger pi delocalisation and the narrowest model-compound HOMO-LUMO gap, motivating BBL-ladder-type 2DCP-MPc frameworks.

Caveat: The M1-M6 values are molecular model-compound calculations, not direct measurements on the polymer.

881 · Design principle of conjugated linkages in 2DCPs · Fig. 1 · Linked to 5 structured results

Synthesis MechanismSupport assessment: Medium

PTSA promotes imidazole-ring formation under the solvothermal polycondensation conditions through protonation-deprotonation ability.

Caveat: Mechanistic support comes from model reactions and DFT, not direct observation of the polymerisation transition state.

881 · Synthesis and characterizations of 2DCPs · Supplementary Figs. 9-20; Schemes 1-3

Transport MechanismSupport assessment: High

The increase in scattering time and mobility upon cooling indicates electron-phonon-scattering-limited band transport in 2DCP-MPcs.

Caveat: Authors also note changes in free-carrier population at lower temperature, so photoconductivity amplitude alone is not used as mobility.

885 · Discussion · Fig. 5c,d · Linked to 5 structured results

Transport MechanismSupport assessment: High

Frequency-resolved THz photoconductivity of 2DCP-MPc films is well described by the Drude model, supporting delocalised band-like free-carrier transport.

Caveat: The mobility is inferred from photoconductivity fits and DFT effective masses, not from contacted FET or Hall measurements.

884 · Frequency-resolved THz photoconductivity measurements · Fig. 5a · Linked to 6 structured results

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

Material	Composition	Structure context	Source
2DCP-CuPc	phthalocyanine-based poly(benzimidazobenzophenanthroline)-ladder-type 2D conjugated polymer with Cu(II) phthalocyanine unitsCu(II) in octaaminophthalocyaninato metal(II) building blocks · naphthalenetetracarboxylic dianhydride-derived BBL/perinone imidazole ladder linkages	2D · PristineCrystalline layered 2DCP; slipped-AA stacked geometry assigned by PXRD/Pawley refinement.	881 · Synthesis and characterizations of 2DCPs · Fig. 2b-d
2DCP-NiPc	phthalocyanine-based poly(benzimidazobenzophenanthroline)-ladder-type 2D conjugated polymer with Ni(II) phthalocyanine unitsNi(II) in octaaminophthalocyaninato metal(II) building blocks · naphthalenetetracarboxylic dianhydride-derived BBL/perinone imidazole ladder linkages	2D · PristineCrystalline layered 2DCP; slipped-AA stacked model used for PXRD refinement and transport calculations.	880-881 · Abstract; Results/Synthesis and characterizations · Fig. 2
phthalocyanine linkage model compounds M1-M6	MX model compounds with imine, imidazole, pyrazine, vinylene, reduced pyrazine or BBL-type imidazole linkagesphthalocyanine model core · M1 imine; M2 imidazole; M3 pyrazine; M4 vinylene; M5 reduced pyrazine; M6 BBL-type imidazole	0D · Model SystemMolecular model systems for HOMO/LUMO and frontier-orbital calculations.	881-882 · Design principle of conjugated linkages in 2DCPs · Fig. 1

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 11 sample records

Sample	Form and role	Processing and geometry	Source
2DCP-CuPc thin film on fused silicaresearch_0400__mat__mat_2dcp_cupc	Thin Film · Target Sample · Pristine Framework	film grown in polycondensation reaction mixture; naturally dried after DMF and acetone washingfused silica · ca. 800 nm	S45 · Supplementary Figure 51 · Supplementary Fig. 51
2DCP-CuPc film on FTO-coated glassresearch_0400__mat__mat_2dcp_cupc	Thin Film · Paper Level Unspecified · Pristine Framework	film used for SEM/EDX because fused-silica films charged during SEMFTO-coated glass	S46-S48 · Supplementary Figures 53 and 55 · Supplementary Figs. 53 and 55
2DCP-CuPc monolayer DFT modelresearch_0400__mat__mat_2dcp_cupc	Model · Model System · Model	monolayer VASP model with 10 A vacuum	S3-S4 · Structural modeling and Pawley refinement of 2DCPs · Supplementary Table 1
2DCP-CuPc powderresearch_0400__mat__mat_2dcp_cupc	Powder · Target Sample · Pristine Framework	dark green powders after Soxhlet extraction and vacuum drying	S5-S6 · Synthesis of 2DCPs and related model compounds
slipped-AA-stacked 2DCP-CuPc DFT modelresearch_0400__mat__mat_2dcp_cupc	Model · Model System · Model	two-layer 3D stacked VASP model with Grimme-D2 dispersion	S3-S4 · Structural modeling and Pawley refinement of 2DCPs · Supplementary Table 2
M1-M6 molecular model compoundsresearch_0400__mat__mat_model_mx	Model · Model System · Model	Gaussian 16 gas-phase molecular models	S2-S3 · Reaction energetics and HOMO-LUMO energy levels
2DCP-NiPc thin film on fused silicaresearch_0400__mat__mat_2dcp_nipc	Thin Film · Target Sample · Pristine Framework	film grown in polycondensation reaction mixture; naturally dried after DMF and acetone washingfused silica · ca. 1200 nm	S45 · Supplementary Figure 51 · Supplementary Fig. 51
2DCP-NiPc film on FTO-coated glassresearch_0400__mat__mat_2dcp_nipc	Thin Film · Paper Level Unspecified · Pristine Framework	film used for SEM/EDX because fused-silica films charged during SEMFTO-coated glass	S46-S47 · Supplementary Figures 52 and 54 · Supplementary Figs. 52 and 54
2DCP-NiPc monolayer DFT modelresearch_0400__mat__mat_2dcp_nipc	Model · Model System · Model	monolayer VASP model with 10 A vacuum	S3-S4 · Structural modeling and Pawley refinement of 2DCPs · Supplementary Table 1
2DCP-NiPc powderresearch_0400__mat__mat_2dcp_nipc	Powder · Target Sample · Pristine Framework	dark green powders after Soxhlet extraction and vacuum drying	S5-S6 · Synthesis of 2DCPs and related model compounds
slipped-AA-stacked 2DCP-NiPc DFT modelresearch_0400__mat__mat_2dcp_nipc	Model · Model System · Model	two-layer 3D stacked VASP model with Grimme-D2 dispersion	S3-S4 · Structural modeling and Pawley refinement of 2DCPs · Supplementary Table 2