Primary studyCore evidenceTransport Physics

Increased Electrical Conductivity in a Mesoporous Metal-Organic Framework Featuring Metallacarboranes Guests

Kung C.-W., Otake K., Buru C.T. et al. · Journal of the American Chemical Society · 2018 · 3871-3875

5materials
13samples
10synthesis routes
15measurements
57results
5claims 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: High

The conductive NiCB@NU-1000 scaffold greatly improves electrochemical access to installed manganese oxide, giving 24.9% addressable Mn and 276 F/gMnO2 at 0.02 mA/cm2 versus 1.9% and 21 F/gMnO2 in Mn-AIM-NU-1000.

Caveat: Specific capacitance is normalised to installed MnO2; whole-electrode capacitance including scaffold is lower at 69 F/g.

3873 · results · Figure 4d and Table S3 · Linked to 4 structured results

CaveatSupport assessment: High

Long-term electrochemical performance retention is limited by partial thin-film detachment and some Mn leaching, even though crystallinity is retained and NiCB leaching is minimal.

Caveat: The authors state that a better film deposition approach with improved adhesion is desirable.

S21 · S10 · Figure S12 · Linked to 3 structured results

Phase AssignmentSupport assessment: High

NiCB guest units are located in the microporous triangular channels of NU-1000 rather than blocking the mesoporous hexagonal channels.

Caveat: Dicarbollide electron density was highly disordered in the single-crystal refinement.

3873 · conclusion · Figure 1 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

Installing NiCB in NU-1000 changes the framework from electrically insulating in the pristine control to a measurable conductive MOF with a reported thin-film conductivity of 2.7 x 10-7 S/cm.

Caveat: The EIS-derived conductivity has geometric/contact assumptions that can over- or under-estimate the true value.

S12 · S5 · Figure S4 · Linked to 5 structured results

Transport MechanismSupport assessment: Medium

Electrical conductivity in NiCB@NU-1000 is attributed to donor-acceptor charge transfer between pyrene-based linkers and NiCB, with NiCB acting like a p-type dopant rather than creating a distinct band.

Caveat: Mechanistic statement is inferential; the authors explicitly say they speculated that NiCB may behave as a p-type dopant.

3873 · results · Figures S6-S7 · Linked to 4 structured results

Material identities

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

MaterialCompositionStructure contextSource
Mn-AIM-NiCB@NU-1000manganese oxide in NiCB@NU-1000Hexa-zirconium nodes with manganese oxide clusters installed by AIM · Pyrene-based TBAPy linkers3D · CompositeManganese oxide installed in the conductive NiCB@NU-1000 framework; mesoporosity retained.3873 · results · Figure 4
Mn-AIM-NU-1000manganese oxide in NU-1000Hexa-zirconium nodes with manganese oxide clusters installed by AIM · Pyrene-based TBAPy linkers3D · CompositeManganese oxide installed in pristine NU-1000; crystallinity and morphology retained after AIM.S4 · Installation of manganese oxide in NU-1000 and NiCB@NU-1000 · Figures S8-S10
nickel(IV) bis(dicarbollide)Ni(C2B9H11)2molecular Ni centre · dicarbollide ligands0D · Model SystemMolecular guest/control species.3871 · introduction
NiCB@NU-1000NU-1000 with guest Ni(C2B9H11)2Hexa-zirconium nodes · Pyrene-based TBAPy linkers3D · CompositeNiCB guest molecules are located in microporous triangular channels of NU-1000; crystallinity and rod-like morphology are preserved.3871 · abstract · Figure 1
NU-1000Not specifiedHexa-zirconium nodes · Pyrene-based TBAPy linkers, 1,3,6,8-tetrakis(p-benzoic acid)pyrene-derived3D · PristineMesoporous zirconium-based MOF with one-dimensional mesoporous hexagonal channels and microporous triangular channels.3871 · introduction

Sample register

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

Show 13 sample records
SampleForm and roleProcessing and geometrySource
spin-coated Mn-AIM-NiCB@NU-1000 thin filmresearch_0106__mat__mat_mn_aim_nicb_nu1000Thin Film · Target Sample · CompositeMn-AIM-NiCB@NU-1000 powder spin-coated on FTO following a previous study for CV, charge-discharge, and long-term cycling.FTO conductive glass3873 · results · Figure 4
spin-coated Mn-AIM-NU-1000 thin filmresearch_0106__mat__mat_mn_aim_nu1000Thin Film · Pristine Control · CompositeMn-AIM-NU-1000 powder spin-coated on FTO following a previous study for CV and charge-discharge tests.FTO conductive glass3873 · results · Figure 4
NiCB/IDEresearch_0106__mat__mat_nicbElectrode · Model System · ModelNiCB dissolved in acetone at 10 mg/mL and drop-cast on a bare IDE.Pt interdigitated electrode, 180 pairs of fingers, 5-um gapS5 · Preparation of electrodes · Figure 3
NiCB@NU-1000/IDEresearch_0106__mat__mat_nicb_nu1000Electrode · Target Sample · Guest LoadedNiCB@NU-1000 acetone suspension drop-cast until full IDE coverage; dried at room temperature overnight.Pt interdigitated electrode, 180 pairs of fingers, 5-um gapS4 · Preparation of electrodes · Figure 3
NiCB@NU-1000 pelletresearch_0106__mat__mat_nicb_nu1000Pellet · Target Sample · Guest LoadedWet acetone-treated powder pressed in a 7 mm die at 0.5 metric ton and dried at 80 C.sandwiched between two conductive FTO substrates · about 0.7 mmS13 · Conductivity measurements and characterizations of the MOF pellets · Figure S5
NiCB@NU-1000 powderresearch_0106__mat__mat_nicb_nu1000Powder · Target Sample · Guest LoadedNU-1000 immersed in NiCB/DMF, washed repeatedly with acetone, and dried at 80 C overnight.S2 · Synthesis of NU-1000 installed with NiCB
spin-coated NiCB@NU-1000 thin filmresearch_0106__mat__mat_nicb_nu1000Thin Film · Target Sample · Guest LoadedSpin-coated on FTO following a previous study; used for EIS conductivity.FTO conductive glass · average film thickness 2.5 umS12 · Conductivity measurement · Figure S4
NiCB@SC-NU-1000 single crystalresearch_0106__mat__mat_nicb_nu1000Single Crystal · Target Sample · Guest LoadedSC-NU-1000 kept in NiCB/DMF for 7 days, washed with acetone, then stored with water.S3 · Installation of NiCB in NU-1000 crystals for single-crystal X-ray diffraction
NU-1000/IDEresearch_0106__mat__mat_nu1000Electrode · Pristine Control · Pristine FrameworkNU-1000 acetone suspension drop-cast until full IDE coverage; dried at room temperature overnight.Pt interdigitated electrode, 180 pairs of fingers, 5-um gapS4 · Preparation of electrodes · Figure 3
NU-1000 pelletresearch_0106__mat__mat_nu1000Pellet · Pristine Control · Pristine FrameworkWet acetone-treated powder pressed in a 7 mm die at 0.5 metric ton and dried at 80 C.sandwiched between two conductive FTO substrates · about 0.7 mmS5 · Preparation of pellets for conductivity measurements · Figure S5
NU-1000 powder/crystalsresearch_0106__mat__mat_nu1000Powder · Pristine Control · Pristine FrameworkSynthesised following a previously reported protocol; used as the pristine framework before guest loading.S2 · Synthesis of NU-1000 installed with NiCB
spin-coated NU-1000 thin filmresearch_0106__mat__mat_nu1000Thin Film · Pristine Control · Pristine FrameworkSpin-coated on FTO following a previous study for electrochemical measurements.FTO conductive glassS5 · Preparation of electrodes · Figure 4
SC-NU-1000 single crystalsresearch_0106__mat__mat_nu1000Single Crystal · Pristine Control · Pristine FrameworkLarge single crystals prepared from ZrCl4, H4TBAPy, benzoic acid, DEF, and TFA; washed with DMF and HCl activated.S3 · Installation of NiCB in NU-1000 crystals for single-crystal X-ray diffraction