Primary studyCore evidenceTransport Physics

Macrocyclic ligand-driven ion selectivity and high surface area in a 2D conductive MOF

Pham H.T.B., Choi J.Y., Fang X. et al. · Chem · 2024 · 199-210

3materials
12samples
10synthesis routes
24measurements
52results
6claims 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-EP shows much higher capacitive performance than Cu-HHTC in 1 M Na2CO3, attributed to larger surface area, larger pockets/channels, and additional redox activity.

Caveat: Electrochemical measurements use MOF/Super P/PTFE composite electrodes, so values are application performance rather than intrinsic framework transport.

204-205 · Electrochemical properties · Figure 4; Table S5 · Linked to 5 structured results

Phase AssignmentSupport assessment: Medium

After Cs metalation, Cs ions are assigned to in-plane intrinsic pockets rather than between adjacent planes.

Caveat: Assignment relies on simulated PXRD comparison and absence of between-plane peaks.

206 · Post-synthetic metalation · Figure S30-S31 · Linked to 2 structured results

Structure Property LinkSupport assessment: High

The intrinsic pockets of Cu-EP selectively host Cs+ over Li+.

Caveat: Selectivity evidence combines experimental metalation/XPS/EDS and molecular model calculations.

205 · Post-synthetic metalation · Figures S26-S27; Tables S6-S7 · Linked to 5 structured results

Structure Property LinkSupport assessment: High

Cu-EP reaches a record-high surface area among reported 2D EC-MOFs because the macrocyclic EP ligand contributes large intrinsic pockets and channels.

Caveat: Record claim is relative to the comparison set cited by the authors through 2023.

203 · Structure characterization of Cu-EP · Figure S20; Table S4 · Linked to 3 structured results

Synthesis MechanismSupport assessment: Medium

Water improves Cu-EP crystallinity by acting as a base to deprotonate the EP ligand during synthesis.

Caveat: Mechanistic inference is based on DFT pKa trends and synthesis optimisation rather than direct in situ observation.

201 · Synthesis and optimization of Cu-EP · Tables S1-S2; Figure S16 · Linked to 3 structured results

Transport MechanismSupport assessment: High

Cu-EP is an electrically conductive 2D MOF with pressed-pellet conductivity around 10^-3 S/cm and activated transport with Ea about 0.2 eV.

Caveat: Bulk pellet conductivity may be affected by pellet density and grain boundaries.

203-204 · Electronic structure characterization · Figure 3B; Table S4 · Linked to 2 structured results

Material identities

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

MaterialCompositionStructure contextSource
Cu-EPCu3(EP)2; reported as Cu3EP2 for pristine frameworkcopper nodes; mixed Cu(I)/Cu(II) observed by XPS · macrocyclic ethynylphenanthrene (EP) ligand2D · Pristine2D electrically conductive MOF; hexagonal P6/mmm; AA slipped-parallel packing best fits PXRD201 · Synthesis and optimization of Cu-EP
Cu-HHTCCu-HHTCcopper nodes · HHTC ligand (2,3,8,9,14,15-hexahydroxyltribenzocyclyne)2D · PristineAnalogous 2D electrically conductive MOF control constructed from a TC derivative204 · Electrochemical properties
EP ligandmacrocyclic ethynylphenanthrene ligandphenanthrenediol and ethynyl units0D · Model SystemMacrocyclic ligand precursor and computational/complexation model system201 · Synthesis and optimization of Cu-EP · Figure 1C

Sample register

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

Show 12 sample records
SampleForm and roleProcessing and geometrySource
Cu-EP-Cs-0.5research_0086__mat__mat_cu_epPowder · Target Sample · Guest Loadedpost-synthetic metalation with 0.5 equiv CsNO3S30 · EDS characterization · Table S8
Cu-EP-Cs-1research_0086__mat__mat_cu_epPowder · Target Sample · Guest Loadedpost-synthetic metalation with 1 equiv CsNO3206 · Post-synthetic metalation
Cu-EP-Cs-2research_0086__mat__mat_cu_epPowder · Target Sample · Guest Loadedpost-synthetic metalation with 2 equiv CsNO3205 · Post-synthetic metalation
Cu-EP-CsOAc-2research_0086__mat__mat_cu_epPowder · Target Sample · Guest Loadedpost-synthetic metalation with 2 equiv CsOAcS32 · Electronic structures of pristine Cu-EP and its metalated samples · Table S11
Cu-EP/Super P/PTFE modified glassy carbon electroderesearch_0086__mat__mat_cu_epElectrode · Composite Sample · Compositedrop-cast ink dried at 65 C for 15 minglassy carbon electrode, 3 mm diameter208 · Electrochemical characterization
Cu-EP-Li-2research_0086__mat__mat_cu_epPowder · Target Sample · Guest Loadedpost-synthetic metalation attempt with 2 equiv LiNO3205 · Post-synthetic metalation
pressed Cu-EP pelletresearch_0086__mat__mat_cu_epPellet · Target Sample · Pristine Frameworkapproximately 5 mg powder pressed in 5 mm die under 1.5 Tonsmicrocaliper-measured; value not reportedS5 · Conductivity measurements
pristine Cu-EP powderresearch_0086__mat__mat_cu_epPowder · Target Sample · Pristine Frameworkblack solids isolated, washed and vacuum dried208 · Synthesis of Cu-EP
Cu-HHTC/Super P/PTFE modified glassy carbon electroderesearch_0086__mat__mat_cu_hhtcElectrode · Pristine Control · Compositedrop-cast MOF inkglassy carbon electrode, 3 mm diameterS3 · Electrochemical characterization
pressed Cu-HHTC pelletresearch_0086__mat__mat_cu_hhtcPellet · Pristine Control · Pristine Frameworkapproximately 5 mg powder pressed in 5 mm die under 1.5 Tonsmicrocaliper-measured; value not reportedS5 · Conductivity measurements · Table S4
Cu-HHTC powderresearch_0086__mat__mat_cu_hhtcPowder · Pristine Control · Pristine Frameworkblack solid product dried in vacuum ovenS25 · Synthesis of Cu-HHTC · Figure S23
EP ligand modelresearch_0086__mat__mat_ep_ligandModel · Model System · ModelDFT and solution complexation modelS2 · Computational details