Primary studyCore evidenceTransport Physics

From 2D to 3D: Postsynthetic Pillar Insertion in Electrically Conductive MOF

Choi J.Y., Flood J., Stodolka M. et al. · ACS Nano · 2022 · 3145-3151

5materials
11samples
8synthesis routes
17measurements
50results
7claims and caveats

Evidence map

Open a family to keep every result attached to its sample, method and conditions.

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: High

Cu-THQ-BPY exhibits higher gravimetric capacitance and Cdl than Cu-THQ, consistent with improved ion accessibility to interior pores.

Caveat: Capacitance of pristine Cu-THQ at 10 mV s-1 is read from the plot, while Cu-THQ-BPY and Cdl values are text-reported.

main p.5 · Results and Discussion · Figure 5; Figure S17; Figure S18 · Linked to 4 structured results

CaveatSupport assessment: High

A physical Cu-THQ/BPY mixture does not reproduce the structural or transport signature of coordinated BPY insertion.

Caveat: The physical-mixture XRD result is qualitative; exact diffraction intensities are not tabulated.

main pp.3-4 · Results and Discussion · Figure S5; Figure 4a · Linked to 2 structured results

Phase AssignmentSupport assessment: High

Postsynthetic BPY insertion transforms layered 2D Cu-THQ into a 3D Cu-THQ-BPY framework.

Caveat: No CIF file was supplied; assignment rests on PXRD/simulation/Pawley and spectroscopic evidence available in the paper/SI.

main p.3 · Results and Discussion · Figure 1 · Linked to 6 structured results

Structure Property LinkSupport assessment: High

BPY insertion increases measured surface area and accessible pore metrics relative to pristine Cu-THQ.

Caveat: The paper notes BET surface area can be influenced by crystallinity and interparticle aggregation, so ECSA is used as a complementary accessibility metric.

main p.4 · Results and Discussion · Figure S9; Table S3 · Linked to 7 structured results

Structure Property LinkSupport assessment: Medium

Strong d-pi conjugation and similar band alignment are retained after BPY insertion, despite reduced bulk conductivity.

Caveat: Bandgap and frontier-orbital values are mainly graphical; no exact table values were reported.

main p.4 · Results and Discussion · Figures S10-S13 · Linked to 2 structured results

Synthesis MechanismSupport assessment: High

Pyrazine does not insert into Cu-THQ under the same optimised conditions used for BPY insertion.

Caveat: Conclusion is restricted to the reported PYZ conditions; alternate PYZ insertion conditions were not demonstrated.

main p.4 · Results and Discussion · Figure S14 · Linked to 1 structured result

Transport MechanismSupport assessment: Medium

BPY pillaring decreases bulk electrical conductivity, attributed to enlarged interlayer distance reducing out-of-plane pi-pi orbital overlap.

Caveat: Most ratio-specific conductivity values are graphical estimates from Figure 4a rather than printed values.

main p.4 · Results and Discussion · Figure 4 · Linked to 6 structured results

Material identities

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

MaterialCompositionStructure contextSource
Cu-THQBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB)Cu3(THQ)2Copper nodes, described as able to adopt square-planar and octahedral coordination geometries. · Tetrahydroxy-1,4-benzoquinone (THQ).2D · PristineLayered 2D d-pi conjugated conductive MOF; parent material used for pillar insertion.main p.2 · Results and Discussion · Figure 1
Cu-THQ-BPYCu-THQ with inserted 4,4'-bipyridyl pillar ligands; exact framework stoichiometry varies with feed ratioCopper nodes expanded from square-planar sheet sites toward octahedral coordination by axial BPY ligation. · THQ framework linker and 4,4'-bipyridyl (BPY) pillar ligand.3D · PristinePostsynthetically pillared 3D conductive MOF assigned by synchrotron PXRD, Pawley refinement, NMR, FT-IR, XPS and microscopy.main p.2 · Results and Discussion · Figure 1
Physical mixture of Cu-THQ and BPYCu-THQ plus molecular BPY, physically groundCopper nodes in unpillared Cu-THQ. · THQ in Cu-THQ plus uncoordinated BPY molecules.2D · CompositePhysical mixture control, not a pillared framework.SI p.S6 · Physically mixing of Cu-THQ and BPY · Figure S5
Cu-THQ-PYZ attempted productCu-THQ treated with pyrazine; no successful PYZ insertion detectedCopper nodes of the parent Cu-THQ framework. · THQ framework linker; pyrazine was attempted as a shorter pillar ligand.2D · UnknownNegative insertion control: PXRD showed no change from parent Cu-THQ and NMR showed no PYZ presence.main p.4 · Results and Discussion · Figure S14
THQ, BPY and Cu salt electrochemical controlsTHQ ligand; BPY ligand; Cu(NO3)2.2.5H2ONone for ligand controls; molecular copper salt for Cu control. · THQ or BPY molecular controls.0D · Model SystemNon-MOF model controls for cyclic-voltammetry comparison.main p.4 · Results and Discussion · Figure S16

Sample register

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

Show 11 sample records
SampleForm and roleProcessing and geometrySource
Cu-THQ-BPY (1:1) drop-cast electrochemical electroderesearch_0038__mat__cu_thq_bpyElectrode · Target Sample · CompositeMOF/PTFE/carbon-black/ethanol slurry drop-cast on glassy carbon and dried at 65 C.Glassy carbon electrode, radius 1.5 mm.SI p.S14 · Electrochemical performance
Cu-THQ-BPY, Cu2+:BPY feed ratio 1:1research_0038__mat__cu_thq_bpyPowder · Target Sample · Guest LoadedPostsynthetic BPY insertion in water at room temperature for 24 h using 8.9 mg BPY per 10 mg Cu-THQ; washed and vacuum-dried.main p.6 · Experimental Section - BPY Insertion
Cu-THQ-BPY, Cu2+:BPY feed ratio 1:2research_0038__mat__cu_thq_bpyPowder · Target Sample · Guest LoadedPostsynthetic BPY insertion in water at room temperature for 24 h using 17.6 mg BPY per 10 mg Cu-THQ; washed and vacuum-dried.main p.6 · Experimental Section - BPY Insertion
Cu-THQ-BPY, Cu2+:BPY feed ratio 2:1research_0038__mat__cu_thq_bpyPowder · Target Sample · Guest LoadedPostsynthetic BPY insertion in water at room temperature for 24 h; washed and vacuum-dried at 60 C.main p.6 · Experimental Section - BPY Insertion
Pressed Cu-THQ-BPY pellet seriesresearch_0038__mat__cu_thq_bpyPellet · Target Sample · Guest LoadedApproximately 5 mg powder pressed under 1.5 tons; no binder or conducting additive.Measured with caliper; exact thicknesses not reported.SI p.S13 · Electrical conductivity measurement · Figure S15
Physically mixed Cu-THQ and BPY powderresearch_0038__mat__cu_thq_bpy_physical_mixPowder · Pristine Control · Composite5 mg Cu-THQ and 4.5 mg BPY ground for 5 min in an agate mortar.SI p.S6 · Physically mixing of Cu-THQ and BPY · Figure S5
Cu-THQ drop-cast electrochemical electroderesearch_0038__mat__cu_thqElectrode · Pristine Control · CompositeMOF/PTFE/carbon-black/ethanol slurry drop-cast on glassy carbon and dried at 65 C.Glassy carbon electrode, radius 1.5 mm.SI p.S14 · Electrochemical performance
Pressed Cu-THQ pellet for four-point conductivityresearch_0038__mat__cu_thqPellet · Pristine Control · Pristine FrameworkApproximately 5 mg powder pressed under 1.5 tons; no binder or conducting additive.Measured with caliper; exact thickness not reported.SI p.S13 · Electrical conductivity measurement · Figure S15
As-synthesised Cu-THQ powderresearch_0038__mat__cu_thqPowder · Pristine Control · Pristine FrameworkFiltered, washed with water, methanol and acetone, and oven-dried at 65 C.main p.6 · Experimental Section - Synthesis of Cu-THQ
Cu-THQ-PYZ attempted insertion productresearch_0038__mat__cu_thq_pyz_attemptPowder · Target Sample · UnknownCu-THQ treated with PYZ in water for 24 h, washed with water, methanol and acetone, and vacuum-dried.main p.6 · Experimental Section - PYZ Insertion
THQ, BPY and Cu salt control electrodesresearch_0038__mat__electrochemical_ligand_controlsElectrode · Model System · ModelPrepared for individual CV controls; detailed ink preparation not separately reported.Glassy carbon electrode.SI p.S14 · Electrochemical performance · Figure S16