Primary studyCore evidenceTransport Physics

Upgrading Structural Conjugation in Three-Dimensional Ni-Based Metal-Organic Frameworks for Promoting Electrical Conductivity and Specific Capacitance

Tai H., Ding W., Zhang X. et al. · Inorganic Chemistry · 2024 · 18083-18091

5materials
9samples
5synthesis routes
25measurements
67results
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: High

Ni-BPE electrode shows higher specific capacitance and better rate retention than the analogous Ni-BPY electrode.

Caveat: Electrode measurements use composite electrodes with acetylene black, PVDF, and Ni foam, so these are application metrics rather than pristine-framework transport values.

p. 18088 · Electrochemical Performance · Figure 4 · Linked to 6 structured results

Application RelevanceSupport assessment: High

The Ni-BPE//AC asymmetric supercapacitor delivers 25.2 Wh kg-1 at 800 W kg-1 and retains about 71% capacitance over 5000 cycles.

Caveat: Device metrics are application-level and include activated carbon plus electrolyte; they should not be treated as intrinsic MOF transport data.

p. 18089 · Electrochemical Performance · Figure 6e,f · Linked to 4 structured results

Structure Property LinkSupport assessment: High

Replacing BPY with vinyl-functionalised BPE upgrades structural conjugation and increases Ni-BPE conductivity relative to Ni-BPY.

Caveat: Conductivity values are approximate text-reported pellet measurements; DFT is ligand-level support rather than direct framework band-structure evidence.

p. 18087 · UV-Vis Spectra, Electrical Conductivity, BET, and SEM Characterization · Figure 2d,e; Table S3 · Linked to 5 structured results

Structure Property LinkSupport assessment: Medium

The 2-fold interpenetrating Ni-BPE framework is linked to improved thermal stability relative to Ni-BPY.

Caveat: Causal attribution is inferred by authors from TGA and structure; no isolated interpenetration control is reported.

p. 18087 · XPS, PXRD, IR, and TGA Characterization · Figure 2c · Linked to 2 structured results

Transport MechanismSupport assessment: High

Lower Rs and Rct for the Ni-BPE electrode indicate faster electron transfer and redox kinetics than Ni-BPY.

Caveat: EIS was measured on composite electrodes, not pristine pellets.

p. 18088 · Electrochemical Performance · Figure 4f · Linked to 4 structured results

Transport MechanismSupport assessment: Medium

Charge storage in both Ni-BPY and Ni-BPE electrodes is mainly diffusion controlled with battery-type behaviour.

Caveat: Diffusion percentages beyond the text-reported endpoints were read from figure labels.

p. 18089 · Electrochemical Performance · Figure 5 · Linked to 6 structured results

Material identities

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

MaterialCompositionStructure contextSource
BPE ligand model1,2-di(4-pyridyl)ethylenenone · BPE ligand0D · Model SystemMolecular ligand model used for DFT HOMO/LUMO comparison.S6 · Figure S5 and Table S3 · Table S3
BPY ligand model4,4'-bipyridinenone · BPY ligand0D · Model SystemMolecular ligand model used for DFT HOMO/LUMO comparison.S6 · Figure S5 and Table S3 · Table S3
Ni-BPE / {Ni(HBTC)(BPE)}n{Ni(HBTC)(BPE)}n; empirical formula for crystal C21H13N4NiO6Ni2+ nodes coordinated by carboxylate oxygens and pyridyl nitrogens · H3BTC-derived BTC/HBTC carboxylate linker and 1,2-di(4-pyridyl)ethylene (BPE)3D · PristineTrigonal P-3c1 pillared-layer framework with honeycomb 2D Ni-BTC layers connected by BPE pillars; 2-fold interpenetrating structure; CCDC 2305772.p. 18086 · Results and Discussion - Structural Description · Table S1; Figures S1-S3
Ni-BPE//AC asymmetric supercapacitorNi-BPE positive electrode // activated carbon negative electrode in 3 M KOHNi2+ nodes in Ni-BPE positive electrode · Ni-BPE contains BTC/HBTC and BPE linkers; AC electrode has no MOF linkerunknown · CompositeTwo-electrode asymmetric supercapacitor device assembled from Ni-BPE and activated carbon electrodes.p. 18089 · Electrochemical Performance · Figure 6
Ni-BPYNi-BTC/BPY pillared Ni-MOF; exact formula not reported in the article textNi2+ nodes in Ni-BTC layers · H3BTC-derived BTC/HBTC carboxylate linker and 4,4'-bipyridine (BPY)3D · PristineAnalogous 3D Ni-MOF with approximately 7.7 A x 11.2 A 3D channels; non-interpenetrated by comparison with Ni-BPE.p. 18086 · Results and Discussion - Structural Description · Figure 1a

Sample register

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

Show 9 sample records
SampleForm and roleProcessing and geometrySource
BPE ligand computational modelresearch_0747__mat__mat_bpe_modelModel · Model System · ModelDFT molecular modelp. 18084 · Experimental Section - Materials and Methods
BPY ligand computational modelresearch_0747__mat__mat_bpy_modelModel · Model System · ModelDFT molecular modelp. 18084 · Experimental Section - Materials and Methods
Ni-BPE//AC ASC deviceresearch_0747__mat__mat_ni_bpe_ac_deviceElectrode · Composite Sample · CompositeNi-BPE positive electrode paired with activated carbon negative electrode in 3 M KOH; mass ratio balanced by q+ = q-two-electrode aqueous ASC assembly · not reportedp. 18085 · Experimental Section - Preparation of the Electrode
as-synthesised Ni-BPE crystalsresearch_0747__mat__mat_ni_bpeSingle Crystal · Target Sample · Pristine Frameworkyellow-green crystals obtained by filtration and drying after hydrothermal synthesisp. 18084 · Experimental Section - Preparation of Ni-BPE
Ni-BPE/Ni foam working electroderesearch_0747__mat__mat_ni_bpeElectrode · Target Sample · CompositeNi-BPE, acetylene black, PVDF 7:2:1 in NMP painted on cleaned Ni foam, dried 60 C 24 h, compressed 10 MPa 30 sNi foam, 1 x 1 cm2 coated area · mass loading ca. 2 mg; coating thickness not reportedp. 18084 · Experimental Section - Preparation of the Electrode
Ni-BPE pressed pelletresearch_0747__mat__mat_ni_bpePellet · Target Sample · Pristine Frameworkpressed at 100 MPa for four-probe conductivity measurement10 mm diameter pellet; thickness not reportedp. 18084 · Experimental Section - Materials and Methods
as-synthesised Ni-BPY crystalsresearch_0747__mat__mat_ni_bpySingle Crystal · Pristine Control · Pristine Frameworkgreenish blue crystals washed with DMFp. 18084 · Experimental Section - Preparation of Ni-BPY
Ni-BPY/Ni foam working electroderesearch_0747__mat__mat_ni_bpyElectrode · Pristine Control · CompositeNi-BPY, acetylene black, PVDF 7:2:1 in NMP painted on cleaned Ni foam, dried 60 C 24 h, compressed 10 MPa 30 sNi foam, 1 x 1 cm2 coated area · mass loading ca. 2 mg; coating thickness not reportedp. 18084 · Experimental Section - Preparation of the Electrode
Ni-BPY pressed pelletresearch_0747__mat__mat_ni_bpyPellet · Pristine Control · Pristine Frameworkpressed at 100 MPa for four-probe conductivity measurement10 mm diameter pellet; thickness not reportedp. 18084 · Experimental Section - Materials and Methods