Rambabu D., Lakraychi A.E., Wang J. et al. · Journal of the American Chemical Society · 2021 · 11641-11650
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.
The work reports a first generation of Li-ion MOFs with general composition Li2-M-DOBDC as Li-reservoir positive electrode materials.
Caveat: Claim is scoped to the authors' framing of Li-cation reservoir MOF cathodes; not a broad database priority metric by itself.
2 · Introduction · Linked to 2 structured results
Among the studied phases, Li2-Mn-DOBDC was selected for detailed Li storage because it had the intrinsic conductivity, lowest polarisation and higher reversibility.
Caveat: Electrode tests use composite electrodes with conductive carbon and PTFE, not pristine MOF-only electrodes.
7 · 2.4. Lithium Storage Performance · Figure 5 · Linked to 3 structured results
The specific capacities remain lower than the nominal two-electron expectation, and the authors attribute this to intrinsic limitations of the DOBDC linker rather than only formulation effects.
Caveat: The exact chemical origin remains an open question in the paper.
7-8 · 2.4; Conclusion · Figure 5 · Linked to 3 structured results
H2/Li2-M-DOBDC frameworks reversibly release/absorb DMF and undergo lithiation/delithiation without irreversible framework collapse under the tested processing.
Caveat: The Li2/H2-M-DOBDC PXRD data were not high enough for full indexing and crystal-structure confirmation.
4 · 2.1. Synthesis, Structural Reversibility, and Physicochemical Analysis · Figure 2; Figures S3-S4 · Linked to 3 structured results
The redox-active Mn2+ electronic structure and mixed-valence donor/acceptor character are proposed to enable high electronic conductivity in Li2-Mn-DOBDC and oxidised Lix-Mn-DOBDC.
Caveat: Mechanistic assignment is inferred by comparison across materials and activation energies; no direct carrier mobility measurement reported.
5 · 2.2. Electroactivity · Figure 3; Table 1 · Linked to 5 structured results
Impedance analysis revealed no significant ionic transport in Li2-Mg-DOBDC and Li2-Mn-DOBDC up to 80 degC.
Caveat: No numeric ionic conductivity values are reported; authors state further structural studies are required.
24 · Figure S9 discussion · Figure S9 · Linked to 1 structured result
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| H2-Mg-DOBDC | H2-Mg-DOBDCMg(II) nodes · H2-DOBDC2- with phenolic -OH groups | 3D · PristineDesolvated Mg framework; PXRD and FTIR changes analogous to Mn phase. | 4 · 2.1. Synthesis, Structural Reversibility, and Physicochemical Analysis · Figure 2; Figure S3 |
| H2-Mg-DOBDC.DMF2 | H2-Mg-DOBDC.DMF2Mg(II) nodes in solvated DOBDC framework · H2-DOBDC2- / 2,5-dihydroxyterephthalate | 3D · PristineIsostructural to reported Mg analogue; used as Mg precursor. | 4 · 1.2.3. Synthesis of H2-Mg-DOBDC.DMF2 · Table S1 |
| H2-Mn-DOBDC | H2-Mn-DOBDCMn(II) nodes · H2-DOBDC2- with uncoordinated phenolic -OH groups | 3D · PristineDesolvated framework; PXRD changed relative to H2-Mn-DOBDC.DMF2 but reversible upon DMF exposure. | 4 · 2.1. Synthesis, Structural Reversibility, and Physicochemical Analysis · Figure 2 |
| H2-Mn-DOBDC.DMF2 | H2-Mn-DOBDC.DMF2; empirical crystal formula C14H18N2O8MnMn(II) nodes coordinated octahedrally by carboxylates and two DMF molecules · H2-DOBDC2- / 2,5-dihydroxyterephthalate | 3D · PristineSingle-crystal XRD: monoclinic I2/a; 1D {Mn(CO2)}n chains extended in a 3D framework with square channels. | 3 · 3. Results and Discussion · Figure 1; Figure S1 referenced |
| Li1.0-Mn-DOBDC | Li1.0-Mn-DOBDCMn-based DOBDC framework after 1.0 e- chemical oxidation · oxidised DOBDC framework | 3D · PristineChemically oxidised Lix-Mn-DOBDC intermediate; characterised by FTIR and conductivity. | 6 · 1.2.11. Synthesis of Li1.0-Mn-DOBDC · Figure S8 |
| Li1.5-Mn-DOBDC | Li1.5-Mn-DOBDCMn-based DOBDC framework after 0.5 e- chemical oxidation · partially oxidised DOBDC framework | 3D · PristineChemically oxidised Lix-Mn-DOBDC intermediate; characterised by FTIR and conductivity. | 5 · 2.2. Electroactivity in Li2-M-DOBDC MOFs · Figure 3b; Figure S8 |
| Li2-Mg-DOBDC | Li2-Mg-DOBDC; generic Li2-M-DOBDC with M = Mg2+Mg(II) nodes; Mg:Li approximately 1:1.89 by ICP-AES · DOBDC4- = 2,5-dioxido-1,4-benzenedicarboxylate | 3D · PristinePostsynthetically lithiated Mg-DOBDC framework; lower conductivity than Mn analogue. | 4 · 2.1. Synthesis, Structural Reversibility, and Physicochemical Analysis · Figure 2 |
| Li2-Mn-DOBDC | Li2-Mn-DOBDC; generic Li2-M-DOBDC with M = Mn2+Mn(II) nodes; Mn:Li approximately 1:1.94 by ICP-AES · DOBDC4- = 2,5-dioxido-1,4-benzenedicarboxylate | 3D · PristinePostsynthetically lithiated anionic DOBDC MOF; PXRD not indexed but chemical reversibility and FTIR support assignment. | 1 · Abstract |
| Mn-CPO-27 (Mn2-DOBDC)Browse family: Mn₂(DOBDC) / Mn–MOF-74 / CPO-27-Mn | Mn2-DOBDCMn(II) CPO-27 / MOF-74 nodes · DOBDC linker bound in CPO-27 topology | 3D · PristineCPO-27 / MOF-74 compositional analogue used as control. | 4 · 1.2.4. Synthesis of Mn-CPO-27 · Figure 2; Figure 4 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| H2-Mg-DOBDC.DMF2 powderresearch_0125__mat__mat_h2_mg_dobdc_dmf2 | Powder · Pristine Control · Guest Loaded | solvothermal solvated powder | 4 · 1.2.3 |
| H2-Mg-DOBDC desolvated powderresearch_0125__mat__mat_h2_mg_dobdc | Powder · Pristine Control · Pristine Framework | DMF removed at 200 degC under vacuum; pale yellow powder | 4 · 1.2.5 · Figure S5 |
| H2-Mn-DOBDC.DMF2 single crystalsresearch_0125__mat__mat_h2_mn_dobdc_dmf2 | Single Crystal · Pristine Control · Guest Loaded | solvated DMF-containing crystals | 3 · 1.2.1 · Table S2 |
| H2-Mn-DOBDC.DMF2 bulk crystalline powderresearch_0125__mat__mat_h2_mn_dobdc_dmf2 | Powder · Pristine Control · Guest Loaded | bulk solvated powder | 3 · 1.2.2 · Figure S3 |
| H2-Mn-DOBDC pressed pelletresearch_0125__mat__mat_h2_mn_dobdc | Pellet · Pristine Control · Pristine Framework | 13 mm pellet cold-pressed at 10 tons under argoncarbon-coated aluminium foils | 6 · Electrical conductivity · Figure S7 |
| H2-Mn-DOBDC desolvated powderresearch_0125__mat__mat_h2_mn_dobdc | Powder · Pristine Control · Pristine Framework | DMF removed at 200 degC under vacuum; bright yellow powder | 4 · 1.2.5 · Figure S2; Figure S3 |
| Li1.0-Mn-DOBDC pressed pelletresearch_0125__mat__mat_li10_mn_dobdc | Pellet · Target Sample · Doped | 13 mm pellet cold-pressed at 10 tons under argoncarbon-coated aluminium foils | 21 · Supplementary Figures and Data · Figure S7 |
| Li1.0-Mn-DOBDC powderresearch_0125__mat__mat_li10_mn_dobdc | Powder · Target Sample · Doped | 1.0 e- chemically oxidised Li2-Mn-DOBDC; dark green powder | 6 · 1.2.11 · Figure S8 |
| Li1.5-Mn-DOBDC pressed pelletresearch_0125__mat__mat_li15_mn_dobdc | Pellet · Target Sample · Doped | 13 mm pellet cold-pressed at 10 tons under argoncarbon-coated aluminium foils | 21 · Supplementary Figures and Data · Figure S7 |
| Li1.5-Mn-DOBDC powderresearch_0125__mat__mat_li15_mn_dobdc | Powder · Target Sample · Doped | 0.5 e- chemically oxidised Li2-Mn-DOBDC; green powder | 5 · 1.2.10 · Figure S8 |
| Li2-Mg-DOBDC composite Li half-cell electroderesearch_0125__mat__mat_li2_mg_dobdc | Electrode · Composite Sample · Composite | active material mixed with superP carbon and PTFE binder for coin cells | 6 · 2.3. Electrochemistry · Figure 4B |
| Li2-Mg-DOBDC pressed pelletresearch_0125__mat__mat_li2_mg_dobdc | Pellet · Pristine Control · Doped | 13 mm pellet cold-pressed at 10 tons under argoncarbon-coated aluminium foils | 6 · Electrical conductivity · Figure S7 |
| Li2-Mg-DOBDC powderresearch_0125__mat__mat_li2_mg_dobdc | Powder · Pristine Control · Doped | postsynthetically lithiated H2-Mg-DOBDC; bright yellow powder | 5 · 1.2.7 · Figure 1 |
| Li2-Mn-DOBDC composite Li half-cell electroderesearch_0125__mat__mat_li2_mn_dobdc | Electrode · Composite Sample · Composite | active material manually mixed with superP carbon and PTFE binder for coin cells | 7 · Electrochemical cell assembly and analysis · Figure 5; Figure S10-S12 |
| Li2-Mn-DOBDC pressed pelletresearch_0125__mat__mat_li2_mn_dobdc | Pellet · Target Sample · Doped | 13 mm pellet cold-pressed at 10 tons under argoncarbon-coated aluminium foils | 6 · Electrical conductivity · Figure S7 |
| Li2-Mn-DOBDC powderresearch_0125__mat__mat_li2_mn_dobdc | Powder · Target Sample · Doped | postsynthetically lithiated H2-Mn-DOBDC; orange powder | 4-5 · 1.2.6 · Figure 1 |
| Mn-CPO-27 composite Li half-cell electroderesearch_0125__mat__mat_mn_cpo27 | Electrode · Composite Sample · Composite | active material mixed with conductive carbon and PTFE binder for coin cells | 6 · 2.3. Electrochemistry · Figure 4A |
| Mn-CPO-27 powderresearch_0125__mat__mat_mn_cpo27 | Powder · Pristine Control · Pristine Framework | orange powder, thermally guest-removed at 120 degC | 4 · 1.2.4 · Figure 4 |