Dong H., Gao H., Geng J. et al. · Journal of Physical Chemistry C · 2021 · 20814-20820
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
(NBu4)2Fe2(DHBQ)3 is a conducting three-dimensional MOF relevant to fast electron/ion transport in battery electrodes.
Caveat: Battery electrodes contain 30 wt% Super P, so electrochemical performance is not from a neat MOF electrode alone.
20814 · Abstract · Linked to 4 structured results
The first-cycle Coulombic efficiency is low because initial DHBQ3- causes unequal electron uptake/release and NBu4+ participates in charge balancing.
Caveat: Authors state this as a hypothesis after ex situ characterisation.
20817 · Results and Discussion · Figure 3e · Linked to 3 structured results
The framework retains good crystallinity after charge/discharge despite partial NBu4+ extraction.
Caveat: Based on ex situ XRD patterns in SI; no quantitative post-cycling refinement is reported.
20818 · Results and Discussion · Figure S11 · Linked to 1 structured result
The hollow particle morphology is proposed to improve electrolyte penetration and shorten Li+ diffusion distance, supporting rate capability.
Caveat: Hollow morphology is shown by SEM, but diffusion distance is not independently quantified from morphology.
20816 · Results and Discussion · Figure 2d · Linked to 4 structured results
Electrochemical capacity is assigned to ligand-centred carbonyl redox on DHBQ rather than Fe redox.
Caveat: Based on ex situ spectra; operando confirmation is not reported.
20817 · Results and Discussion · Figure 3c-e; Figure S10 · Linked to 3 structured results
High conductivity is attributed to pi-d conjugation between DHBQ ligands and Fe3+ centres plus charge delocalisation from radical-containing DHBQ3-.
Caveat: Mechanistic assignment is inferred from spectroscopy and literature comparison; no temperature-dependent transport model is reported.
20816 · Results and Discussion · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| tetrabutylammonium iron 2,5-dihydroxybenzoquinone MOF | (NBu4)2Fe2(DHBQ)3; chemical formula used for capacity calculation C50H78N2O12Fe2Fe3+ centres chelated by oxygen atoms from DHBQ ligands · mixed-valence 2,5-dihydroxybenzoquinone, DHBQ2-/DHBQ3- | 3D · PristineCubic I-43d framework, a = 22.302 A; two interpenetrated 3D chiral (10,3)-a nets; NBu4+ counter-cations occupy/fill pores. | 20816 · Results and Discussion · Figure 2; Table S2 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| (NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electroderesearch_0151__mat__mof_nbu4_fe_dhbq | Electrode · Composite Sample · Composite | Slurry in NMP pasted onto Al foil and dried under vacuum at 80 C for 10 h; active MOF loading about 1.0-1.5 mg cm-2.Al foil | 20815 · Methods - Electrochemical Measurements |
| (NBu4)2Fe2(DHBQ)3/Super P/PVDF sodium-ion cathode electroderesearch_0151__mat__mof_nbu4_fe_dhbq | Electrode · Composite Sample · Composite | Same active composite electrode formulation tested in a Na-ion half-cell with Na foil, glass fibre and NaPF6/DME electrolyte.Al foil | 20815 · Methods - Electrochemical Measurements |
| as-prepared (NBu4)2Fe2(DHBQ)3 powder/solidresearch_0151__mat__mof_nbu4_fe_dhbq | Powder · Target Sample · Pristine Framework | Brown solid isolated by vacuum filtration, washed with degassed water and dried at 80 C under vacuum for 10 h. | 20815 · Methods - Preparation of (NBu4)2Fe2(DHBQ)3 |