Primary studyCore evidenceTransport Physics

Structure–Property Engineering of Redox-Active Tetrathiafulvalene- and Bipyridine-Based Metal–Organic Frameworks for Battery Cathodes

Wakamatsu K., Oshima H., Kobayashi N. et al. · Chemistry - A European Journal · 2026

5materials
14samples
7synthesis routes
33measurements
88results
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

Both MOF cathodes outperform the H4TTFTB molecular ligand in retained capacity after 30 and 200 cycles in both LIBs and SIBs, consistent with reduced dissolution and framework immobilisation.

Caveat: H4TTFTB control data are literature-derived but presented in matched tables.

7 · 2.2 · Figures S12-S13 · Linked to 7 structured results

CaveatSupport assessment: High

DFT single charge-carrier insertion causes only minute cell-volume changes, so the experimentally observed PXRD intensity changes likely involve more complex solvation, ion-pairing, and local disordering processes.

Caveat: Static single-ion DFT does not model full electrolyte/cycling dynamics.

8 · 2.3 · Table S6 · Linked to 5 structured results

Structure Property LinkSupport assessment: High

Cd2(TTFTB) has higher reported conductivity than lighter M2(TTFTB) analogues because the larger Cd2+ ion compresses pi-stacked TTF columns, shortening S...S contacts and enhancing sulfur orbital overlap.

Caveat: Conductivity value and structure-property argument are cited from previous work [28], not newly measured here.

2 · Introduction · Linked to 2 structured results

Structure Property LinkSupport assessment: High

TTF-hybrid-MOF delivers the highest SIB maximum and 200-cycle capacities among the tested materials due to combined TTF/bipyridine redox activity and larger 3D ion-transport pathways.

Caveat: Capacity retention is lower than Cd2(TTFTB) despite higher capacity.

7-8 · 2.2 · Table 1/Figure S8 · Linked to 3 structured results

Transport MechanismSupport assessment: High

Cd centres behave mainly as structural nodes during charge/discharge; redox chemistry is dominated by TTF units and, in TTF-hybrid-MOF, additional bipyridine contributions.

Caveat: Cd conclusion is based on XANES edge stability.

9 · 2.3 · Figures S21-S22 · Linked to 3 structured results

Transport MechanismSupport assessment: High

TTF-hybrid-MOF has the lowest SIB charge-transfer resistance and Warburg impedance among the studied materials, supporting faster interfacial charge transfer and ion diffusion.

Caveat: EIS reflects composite cathode/cell behaviour, not a four-probe electronic conductivity measurement.

6 · 2.1 · Figure 4/Table S3 · Linked to 4 structured results

Transport MechanismSupport assessment: High

Incorporating bpea into TTF-hybrid-MOF activates bipyridine-derived redox responses that are absent or weak in the isolated bipyridine ligand.

Caveat: Electrochemical assignment is mechanistic but supported by plateau/CV comparisons.

4-5 · 2.1 · Figure 3/Figure S10 · Linked to 3 structured results

Material identities

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

MaterialCompositionStructure contextSource
1,2-bis(4-pyridyl)ethaneNot specifiednone · bipyridine co-ligand0D · Pristinemolecular co-ligand/control10 · 4.1.4
Cd2(TTFTB) MOFBrowse family: Cd₂(TTFTB)C34H19Cd2O9.5S4Cd2+ nodes · TTFTB tetracarboxylate linkerunknown · PristineCd-TTFTB framework with pi-stacked TTF columns and shortened S...S contactsS38 · Table S1 · Table S1
Et4TTFTBC42H36O8S4none · ethyl tetrathiafulvalene tetrabenzoate precursor0D · Unknownmolecular precursor to H4TTFTB10 · 4.1.1
H4TTFTB ligandC34H20O8S4none · tetrathiafulvalene-tetrabenzoate0D · Pristinemolecular redox ligand/controlS38 · Table S1 · Table S1
TTF-hybrid-MOFC43H39CdN2O13S4Cd2+ nodes · H2TTFTB and 1,2-bis(4-pyridyl)ethane (bpea)3D · Pristine{[Cd(H2TTFTB)(Bpea)(H2O)2].DMF.3H2O}n; more three-dimensionally connected framework induced by bpea2 · Introduction · Figure 2/Table S1

Sample register

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

Show 14 sample records
SampleForm and roleProcessing and geometrySource
1,2-bis(4-pyridyl)ethane cathoderesearch_0319__mat__mat_bpeaElectrode · Pristine Control · Compositeelectrode for control charge-discharge/CVAl foilS23 · Figure S10 · Figure S10
1,2-bis(4-pyridyl)ethane powderresearch_0319__mat__mat_bpeaPowder · Pristine Control · Unknowncommercial molecular control3 · 2.1 · Figure S10
Cd2(TTFTB) MOF cathoderesearch_0319__mat__mat_cd2_ttftbElectrode · Composite Sample · Compositedoctor-bladed electrode diskAl foil11 · 4.2.6
Cd2(TTFTB) MOF powder/crystalsresearch_0319__mat__mat_cd2_ttftbPowder · Target Sample · Pristine Frameworkas-synthesised and activated for porosity10 · 4.1.3
Et4TTFTB red solidresearch_0319__mat__mat_et4_ttftbPowder · Unknown · Unknownas-synthesised precursor10 · 4.1.1
H4TTFTB ligand cathoderesearch_0319__mat__mat_h4_ttftbElectrode · Pristine Control · Compositedoctor-bladed electrode diskAl foil11 · 4.2.6
H4TTFTB dark brown solidresearch_0319__mat__mat_h4_ttftbPowder · Pristine Control · Unknownas-synthesised ligand10 · 4.1.2
TTF-hybrid-MOF cathoderesearch_0319__mat__mat_ttf_hybrid_mofElectrode · Composite Sample · Compositedoctor-bladed electrode diskAl foil11 · 4.2.6
TTF-hybrid-MOF computational blankresearch_0319__mat__mat_ttf_hybrid_mofModel · Model System · Modeloptimised pristine modelS12 · 3.1
ClO4-inserted TTF-hybrid-MOF modelresearch_0319__mat__mat_ttf_hybrid_mofModel · Model System · Modeloptimised anion-inserted modelS46 · Table S6 · Table S6
Li-inserted TTF-hybrid-MOF modelresearch_0319__mat__mat_ttf_hybrid_mofModel · Model System · Modeloptimised cation-inserted/deprotonated modelS46 · Table S6 · Table S6
Na-inserted TTF-hybrid-MOF modelresearch_0319__mat__mat_ttf_hybrid_mofModel · Model System · Modeloptimised cation-inserted/deprotonated modelS46 · Table S6 · Table S6
PF6-inserted TTF-hybrid-MOF modelresearch_0319__mat__mat_ttf_hybrid_mofModel · Model System · Modeloptimised anion-inserted modelS46 · Table S6 · Table S6
TTF-hybrid-MOF powder/crystalsresearch_0319__mat__mat_ttf_hybrid_mofPowder · Target Sample · Pristine Frameworkas-synthesised; DCM solvent-exchanged for gas adsorption10-11 · 4.1.4/4.2.5