Application RelevanceSupport assessment: High
Fe2(DHBQ)3 combines measurable electronic conductivity with high Li/Na cathode capacities and rate performance.
426 · Abstract · Linked to 4 structured results
Primary studyCore evidenceTransport Physics
A Rationally Designed Iron–Dihydroxybenzoquinone Metal–Organic Framework as Practical Cathode Material for Rechargeable Batteries
Cai T., Hu Z., Gao Y. et al. · Energy Storage Materials · 2022 · 426-434
3materials
9samples
6synthesis routes
25measurements
188results
9claims 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
Conductive Fe2(DHBQ)3 electrodes tolerate practical active-material content and high mass loading, reaching 2.9 mAh cm-2 areal capacity for electrode C.
429 · 2.2 · Fig. 2f · Linked to 3 structured results
OtherSupport assessment: High
Rendered SI tables supply exact crystallographic, EIS, and Mossbauer fitted parameters that were missing from the prior office-only SI extraction.
Caveat: Table S2 literature-comparator rows were treated as secondary comparison context, not expanded into first-hand synthesis entries.
23, 27, 28 · Supporting Information · Tables S1, S3, S4 · Linked to 3 structured results
Phase AssignmentSupport assessment: Medium
Fe2(DHBQ)3 is assigned as a 3D Fe-DHBQ MOF with Fe3+ and DHBQ2- in the as-prepared framework; powder XRD supports a distorted triclinic P-1 network similar to (NBu4)2Fe2(DHBQ)3 but without embedded cations.
Caveat: Single crystals were not obtained and Rietveld refinement failed; structure assignment is partly inferential.
428 · 2.1 · Fig. 1g · Linked to 3 structured results
Structure Property LinkSupport assessment: Medium
Moderate absorbed water appears to favour Fe2(DHBQ)3 redox kinetics and capacity, because dehydrated electrodes perform worse and show aggravated side reaction.
Caveat: Causal mechanism is proposed by analogy to hydrated Li+ transport, not directly isolated.
429 · 2.2 · Fig. S14 · Linked to 2 structured results
Synthesis MechanismSupport assessment: Medium
The FeCl3/Fe(OH)3 air-route avoids extra cation/anion insertion relative to earlier Fe-DHBQ analogues.
Caveat: Based on XPS absence of Cl and synthesis rationale; direct quantification of all possible ions is limited.
428 · 2.1 · Fig. 1d · Linked to 2 structured results
Transport MechanismSupport assessment: High
Charge-transfer resistance decreases during cycling, consistent with activation, improved contact, and declining polarisation.
Caveat: Full Table S3 fit body was unavailable in the provided SI text.
431 · 2.3 · Fig. 3f · Linked to 2 structured results
Transport MechanismSupport assessment: High
CV b values indicate the charge process is more pseudocapacitive-dominated than discharge, supporting fast reaction kinetics.
430 · 2.3 · Fig. 3c · Linked to 3 structured results
Transport MechanismSupport assessment: Medium
After first-cycle self-conditioning, reversible storage occurs mainly between lithiated mixed-valence Fe/DHBQ phases, with partial irreversible Fe3+ reduction and ligand redox.
Caveat: Mechanistic formulas are proposed by combining ex-situ spectra and electrochemical data.
431 · 2.4 · Fig. 4f · Linked to 4 structured results
Material identities
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| iron-2,5-dihydroxybenzoquinone metal-organic framework (Fe2(DHBQ)3) | Fe2(C6H2O4)3.2H2O for the air-stabilised sample; nominal Fe2(DHBQ)3 frameworkFe3+ nodes; mixed Fe2+/Fe3+ during electrochemical cycling · 2,5-dihydroxybenzoquinone (DHBQ), deprotonated to DHBQ2- | 3D · PristinePowder XRD/Le Bail: triclinic P-1; similar 3D network to (NBu4)2Fe2(DHBQ)3 but distorted without embedded cations; Rietveld refinement failed. | 428 · 2.1. Synthesis and characterization · Fig. 1g |
| Ketjenblack carbon control electrode material | C | unknown · UnknownConductive carbon additive used as non-MOF control for capacity contribution. | Supporting Information · Fig. S11 |
| tetrabutylammonium iron-dihydroxybenzoquinone framework ((NBu4)2Fe2(DHBQ)3) | (C16H36N)2Fe2(C6H2O4)3Fe-DHBQ framework with embedded tetrabutylammonium cations · 2,5-dihydroxybenzoquinone (DHBQ) | 3D · PristineLiterature reference analogue: cubic Ia-3d, CCDC No. 839253, used for structural comparison and simulated XRD. | 23 · Supporting Information · Table S1, Fig. S5-S6 |
Sample register
Sample form, processing state and composition status define the context for measurements.
Show 9 sample records
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Fe2(DHBQ)3_dehydrated electroderesearch_0432__mat__mat_fe2_dhbq3 | Electrode · Pristine Control · Composite | Electrode disc dried at 180 C in vacuum for 2 h and stored in glovebox before cell assembly.aluminium mesh current collector | 432 · 4.3. Electrochemical tests |
| Fe2(DHBQ)3 electrode B (AM/KB/PTFE = 6:3:1, high loading)research_0432__mat__mat_fe2_dhbq3 | Electrode · Composite Sample · Composite | Free-standing film; active material loading 12.4 mg cm-2.aluminium mesh current collector | 429 · 2.2. Discharge-charge performance · Fig. 2f |
| Fe2(DHBQ)3 electrode A/default (AM/KB/PTFE = 6:3:1, low loading)research_0432__mat__mat_fe2_dhbq3 | Electrode · Composite Sample · Composite | Free-standing film dried at 60 C in air for 2 h; discs 8 mm; AM loading 1-2 mg cm-2 or 1.5 mg cm-2 in Fig. 2f electrode A.aluminium mesh current collector for batteries; stainless steel sheets for ex-situ characterisation cells | 432-433 · 4.3. Electrochemical tests |
| Fe2(DHBQ)3 electrode C (AM/KB/PTFE = 8:1:1, high loading)research_0432__mat__mat_fe2_dhbq3 | Electrode · Composite Sample · Composite | Free-standing film; active material loading 11.9 mg cm-2; 80 wt% active material.aluminium mesh current collector | 429 · 2.2. Discharge-charge performance · Fig. 2f |
| Fe2(DHBQ)3 pressed pelletresearch_0432__mat__mat_fe2_dhbq3 | Pellet · Target Sample · Pristine Framework | Pressed pellet in symmetric cell; diameter 1.2 cm.stainless steel cylinders/current collectors during DC polarisation · 0.063 cm | Supporting Information · Fig. S10 |
| Fe2(DHBQ)3_dehydrated powderresearch_0432__mat__mat_fe2_dhbq3 | Powder · Pristine Control · Pristine Framework | Further dried at 180 C in vacuum for 2 h and stored in Ar glovebox. | 432 · 4.1. Material synthesis |
| air-stabilised Fe2(DHBQ)3 powderresearch_0432__mat__mat_fe2_dhbq3 | Powder · Target Sample · Pristine Framework | Dried at 80 C in vacuum, then stored in air for several hours to stable hydrated composition. | 432 · 4.1. Material synthesis |
| KB/PTFE control electroderesearch_0432__mat__mat_kb_control | Electrode · Pristine Control · Composite | Prepared by same electrode method, KB/PTFE = 9:1.aluminium mesh current collector | 432 · 4.3. Electrochemical tests |
| (NBu4)2Fe2(DHBQ)3 literature reference structureresearch_0432__mat__mat_nbu4_fe2_dhbq3_ref | Unknown · Model System · Guest Loaded | Literature CCDC structure and simulated XRD comparison; embedded NBu4+ omitted in Fig. S5 visualisation. | 6, 7, 23 · Supporting Information · Fig. S5-S6, Table S1 |