Primary studyCore evidenceTransport Physics

Enhancing Electrical Conductivity of Semiconducting MOFs via Defect Healing

Choi J.Y., Park J. · ACS Applied Electronic Materials · 2021 · 4197-4202

3materials
10samples
7synthesis routes
24measurements
53results
6claims and caveats

Evidence map

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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

The ligand-treatment strategy also improves conductivity in Cu3(TATHB)2 and Co3(HAB)2, suggesting applicability to related EC-MOFs.

Caveat: Analogue treatment recipes are described by analogy rather than fully enumerated separately; conductivity values are exact main-text reports supported by SI Figure S14.

5 · Results and Discussion · Figures S11-S14 cited · Linked to 5 structured results

Structure Property LinkSupport assessment: High

Postsynthetic HAB ligand treatment heals defective sites in Cu3(HAB)2, improving crystallinity and raising room-temperature pellet conductivity by about 700-fold.

Caveat: Conductivity is measured on pressed pellets; intermediate reaction-time conductivities rely on figure-axis estimates.

3 · Results and Discussion · Figure 3a · Linked to 9 structured results

Structure Property LinkSupport assessment: Medium

BET and pore-width data suggest that larger defect-associated pores are reduced or disappear after HAB treatment, supporting defect healing.

Caveat: Pore-width distribution is discussed from Figure 5 inset; raw adsorption data were not supplied.

4 · Results and Discussion · Figure 5 · Linked to 5 structured results

Synthesis MechanismSupport assessment: Medium

The optimum Cu3(HAB)2 defect-healing condition used 0.4 equiv HAB precursor and 30 min reaction time, giving the highest crystallinity in the optimisation screen.

Caveat: The SI provides PXRD traces rather than tabulated crystallinity indices for every optimisation condition.

S2-S3 · Optimization of HAB-Treatment · Figures S1-S2 · Linked to 4 structured results

Synthesis MechanismSupport assessment: Medium

XPS, N/Cu ratio, and zeta-potential evidence indicate that HAB treatment terminates or passivates defect sites with ligand, while largely preserving the Cu oxidation state.

Caveat: XPS evidence is surface-sensitive; Table S2 quantification supports composition changes but does not alone locate ligands at specific defect sites.

4 · Results and Discussion · Figure 4 · Linked to 9 structured results

Transport MechanismSupport assessment: Medium

The Cu3(HAB)2 conductivity increases with treatment time up to 30 min, then falls after longer treatment because excess insulating HAB ligands remain on particles.

Caveat: Intermediate 5, 10, 15, and 60 min conductivity values are visual estimates from Figure 3b; 30 min value is exact from text.

4 · Results and Discussion · Figure 3b; Figure S10 cited · Linked to 6 structured results

Material identities

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

MaterialCompositionStructure contextSource
Co3(HAB)2Browse family: Co₃(HAB)₂ / Co–HABCo3(HAB)2Co nodes · hexaaminobenzene (HAB)2D · PristineAnalogue EC-MOF selected to vary the metal component relative to Cu3(HAB)2.4 · Results and Discussion · Figure 1
Cu3(HAB)2Browse family: Cu₃(HAB)₂ / Cu–HABCu3(HAB)2Cu nodes, square planar geometry · deprotonated hexaaminobenzene (HAB)2D · Pristine2D honeycomb-eclipsed conductive MOF; synchrotron PXRD refined against Pawley fit agreed with the reported structure.2 · Introduction · Figure 1
Cu3(TATHB)2Cu3(TATHB)2Cu nodes · triaminotrihydroxybenzene (TATHB)2D · PristineAnalogue EC-MOF selected to vary the ligand component relative to Cu3(HAB)2.4 · Results and Discussion · Figure 1

Sample register

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

Show 10 sample records
SampleForm and roleProcessing and geometrySource
pristine Co3(HAB)2research_0023__mat__co_habPellet · Pristine Control · Pristine FrameworkAs-synthesised analogue MOF; pelletised for conductivity.5 · Results and Discussion · Figure S14 cited
HAB-treated Co3(HAB)2research_0023__mat__co_habPellet · Target Sample · Guest LoadedPostsynthetically treated with 0.4 equiv corresponding ligand as for Cu3(HAB)2; pelletised for conductivity.4 · Results and Discussion
HAB-treated Cu3(HAB)2, 10 minresearch_0023__mat__cu_habPellet · Target Sample · Guest LoadedHAB post-treatment time-series sample; pelletised for four-point-probe conductivity.3 · Results and Discussion · Figure 3b
HAB-treated Cu3(HAB)2, 15 minresearch_0023__mat__cu_habPellet · Target Sample · Guest LoadedHAB post-treatment time-series sample; pelletised for four-point-probe conductivity.3 · Results and Discussion · Figure 3b
HAB-treated Cu3(HAB)2, 30 minresearch_0023__mat__cu_habPellet · Target Sample · Guest LoadedPostsynthetic treatment with HAB precursor and NH4OH in water for 30 min; dried under vacuum at 60 deg C for 0.5 h; pelletised for conductivity.2 · Experimental Section
HAB-treated Cu3(HAB)2, 5 minresearch_0023__mat__cu_habPellet · Target Sample · Guest LoadedHAB post-treatment time-series sample; pelletised for four-point-probe conductivity.3 · Results and Discussion · Figure 3b
HAB-treated Cu3(HAB)2, 60 minresearch_0023__mat__cu_habPellet · Target Sample · Guest LoadedHAB post-treatment time-series sample; pelletised for four-point-probe conductivity.4 · Results and Discussion · Figure S10 cited
pristine Cu3(HAB)2research_0023__mat__cu_habPellet · Pristine Control · Pristine FrameworkAs-synthesised MOF; pelletised for four-point-probe conductivity.3 · Results and Discussion · Figure 3a
pristine Cu3(TATHB)2research_0023__mat__cu_tathbPellet · Pristine Control · Pristine FrameworkAs-synthesised analogue MOF; pelletised for conductivity.5 · Results and Discussion · Figure S14 cited
TATHB-treated Cu3(TATHB)2research_0023__mat__cu_tathbPellet · Target Sample · Guest LoadedPostsynthetically treated with 0.4 equiv corresponding ligand as for Cu3(HAB)2; pelletised for conductivity.4 · Results and Discussion