Hazarika U.N., Borah J., Kakoti A. et al. · Materials Advances · 2023 · 6304-6311
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 positions these simple 3D formate frameworks as rare examples of highly conductive 3D MOFs from small in situ generated ligands.
Caveat: Comparison to literature values relies on SI Table S1; no independent benchmarking was performed here.
p004-p007 · Results; Conclusions · Table S1 · Linked to 4 structured results
Observed pellet conductivities may underestimate intrinsic framework conductivity because pellet heterogeneity and grain boundaries impede charge flow.
Caveat: SEM evidence shown for Co-F pellet only; extrapolation to all pellet measurements is plausible but indirect.
p006 · Results and discussion · Fig. S10 · Linked to 1 structured result
Mn-F is the highest-conductivity framework in the reported series, with 47.846 S cm^-1 at 50 C.
Caveat: Best value is temperature-dependent and measured on pressed pellets by a two-probe method.
p001,p005 · Abstract; Results · Table 2 · Linked to 4 structured results
Formate linkers are generated in situ by DMF decomposition under high-pressure, high-temperature solvothermal conditions, avoiding pre-synthesised organic linkers.
Caveat: Mechanistic attribution is argued from literature precedent and reaction conditions rather than isolated mechanistic intermediates.
p001-p002 · Abstract; Results
The conductivity decrease in d-Co-F is linked to partial Co2+ oxidation to Co3+ and loss of unpaired d-electrons.
Caveat: XPS supports mixed Co oxidation states, but spin state and transport contribution are inferred.
p005-p006 · Results and discussion · Fig. 7 · Linked to 2 structured results
Conductivity is attributed to both proton transport from dimethylammonium/hydronium species and electronic through-bond transport along metal-formate M-O pathways.
Caveat: The paper reports bulk two-probe conductivities and DFT/PDOS support, but no separate proton/electron transference-number measurement.
p003 · Results and discussion · Table 1; Fig. 5 · Linked to 4 structured results
Thermal guest removal increases room-temperature conductivity for Mn-F, Ni-F and Zn-F but decreases it for Co-F.
Caveat: Deguested activation atmosphere is not reported; mechanism is inferred from XPS, PXRD and proposed hydronium generation.
p005 · Results and discussion · Table 4 · Linked to 4 structured results
The frameworks behave as semiconducting materials because conductivity increases with temperature and calculated band gaps fall in a semiconductor range.
Caveat: Temperature trend for Mn-F peaks at 50 C then decreases at 60 C; two-probe contact/grain-boundary effects may affect absolute conductivity.
p004-p005 · Results and discussion · Fig. 6; Table 2 · Linked to 8 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Co-F | [H2N(CH3)2][Co(HCO2)3]Co2+ octahedral metal centres connected by formate O donors · In situ generated formate (HCO2-) from DMF decomposition; dimethylammonium counter-cation in pores for as-synthesised material | 3D · PristineIsostructural trigonal R-3c formate framework; anti-anti mu2 formate bridges give a 3D coordination polymer. | p001-p002 · Abstract; Results and discussion |
| Mn-F | [H2N(CH3)2][Mn(HCO2)3]Mn2+ octahedral metal centres connected by formate O donors · In situ generated formate (HCO2-) from DMF decomposition; dimethylammonium counter-cation in pores for as-synthesised material | 3D · PristineIsostructural trigonal R-3c formate framework; anti-anti mu2 formate bridges give a 3D coordination polymer. | p001-p002 · Abstract; Results and discussion |
| Ni-F | [H2N(CH3)2][Ni(HCO2)3]Ni2+ octahedral metal centres connected by formate O donors · In situ generated formate (HCO2-) from DMF decomposition; dimethylammonium counter-cation in pores for as-synthesised material | 3D · PristineIsostructural trigonal R-3c formate framework; anti-anti mu2 formate bridges give a 3D coordination polymer. | p001-p002 · Abstract; Results and discussion |
| Zn-F | [H2N(CH3)2][Zn(HCO2)3]Zn2+ octahedral metal centres connected by formate O donors · In situ generated formate (HCO2-) from DMF decomposition; dimethylammonium counter-cation in pores for as-synthesised material | 3D · PristineIsostructural trigonal R-3c formate framework; anti-anti mu2 formate bridges give a 3D coordination polymer. | p001-p002 · Abstract; Results and discussion |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Co-F as-synthesised crystalsresearch_0721__mat__mat_cof | Single Crystal · Target Sample · Guest Loaded | Solvothermal/autoclave-grown crystals; contains dimethylammonium guest/counter-cations in pores. | p002 · Results and discussion · Fig. 1 |
| Co-F DFT model systemresearch_0721__mat__mat_cof | Model · Model System · Model | DFT-optimised model geometry for electronic-structure analysis. | p007 · Computational details · Fig. S12 |
| Co-F as-synthesised pressed pelletresearch_0721__mat__mat_cof | Pellet · Target Sample · Guest Loaded | Crystals finely ground and pressed as 1.3 cm diameter, 2 mm thick pellets under ca. 2-5 ton hydraulic pressure.2 mm | p003,p006 · Conductivity measurement · Fig. 3 |
| d-Co-F deguested pressed pelletresearch_0721__mat__mat_cof | Pellet · Target Sample · Pristine Framework | MOF heated at 160 C for 24 h to remove dimethylammonium guests, then measured as deguested sample.not explicitly restated; conductivity pellets otherwise 2 mm | p005 · Results and discussion · Table 4 |
| d-Mn-F deguested pressed pelletresearch_0721__mat__mat_mnf | Pellet · Target Sample · Pristine Framework | MOF heated at 160 C for 24 h to remove dimethylammonium guests, then measured as deguested sample.not explicitly restated; conductivity pellets otherwise 2 mm | p005 · Results and discussion · Table 4 |
| d-Ni-F deguested pressed pelletresearch_0721__mat__mat_nif | Pellet · Target Sample · Pristine Framework | MOF heated at 160 C for 24 h to remove dimethylammonium guests, then measured as deguested sample.not explicitly restated; conductivity pellets otherwise 2 mm | p005 · Results and discussion · Table 4 |
| d-Zn-F deguested pressed pelletresearch_0721__mat__mat_znf | Pellet · Target Sample · Pristine Framework | MOF heated at 160 C for 24 h to remove dimethylammonium guests, then measured as deguested sample.not explicitly restated; conductivity pellets otherwise 2 mm | p005 · Results and discussion · Table 4 |
| Mn-F as-synthesised crystalsresearch_0721__mat__mat_mnf | Single Crystal · Target Sample · Guest Loaded | Solvothermal/autoclave-grown crystals; contains dimethylammonium guest/counter-cations in pores. | p002 · Results and discussion · Fig. 1 |
| Mn-F DFT model systemresearch_0721__mat__mat_mnf | Model · Model System · Model | DFT-optimised model geometry for electronic-structure analysis. | p007 · Computational details · Fig. S12 |
| Mn-F as-synthesised pressed pelletresearch_0721__mat__mat_mnf | Pellet · Target Sample · Guest Loaded | Crystals finely ground and pressed as 1.3 cm diameter, 2 mm thick pellets under ca. 2-5 ton hydraulic pressure.2 mm | p003,p006 · Conductivity measurement · Fig. 3 |
| Ni-F as-synthesised crystalsresearch_0721__mat__mat_nif | Single Crystal · Target Sample · Guest Loaded | Solvothermal/autoclave-grown crystals; contains dimethylammonium guest/counter-cations in pores. | p002 · Results and discussion · Fig. 1 |
| Ni-F DFT model systemresearch_0721__mat__mat_nif | Model · Model System · Model | DFT-optimised model geometry for electronic-structure analysis. | p007 · Computational details · Fig. S12 |
| Ni-F as-synthesised pressed pelletresearch_0721__mat__mat_nif | Pellet · Target Sample · Guest Loaded | Crystals finely ground and pressed as 1.3 cm diameter, 2 mm thick pellets under ca. 2-5 ton hydraulic pressure.2 mm | p003,p006 · Conductivity measurement · Fig. 3 |
| Zn-F as-synthesised crystalsresearch_0721__mat__mat_znf | Single Crystal · Target Sample · Guest Loaded | Solvothermal/autoclave-grown crystals; contains dimethylammonium guest/counter-cations in pores. | p002 · Results and discussion · Fig. 1 |
| Zn-F DFT model systemresearch_0721__mat__mat_znf | Model · Model System · Model | DFT-optimised model geometry for electronic-structure analysis. | p007 · Computational details · Fig. S12 |
| Zn-F as-synthesised pressed pelletresearch_0721__mat__mat_znf | Pellet · Target Sample · Guest Loaded | Crystals finely ground and pressed as 1.3 cm diameter, 2 mm thick pellets under ca. 2-5 ton hydraulic pressure.2 mm | p003,p006 · Conductivity measurement · Fig. 3 |