Dong R., Han P., Arora H. et al. · Nature Materials · 2018 · 1027-1032
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 below-gap Urbach tail may arise from disorder or excitonic effects; the authors cannot rule out the proposed scenarios.
Caveat: The SI states that absence of a THz exciton signature does not prove absence of excitons.
SI pp.23-24/44 · Rational for the origin of the Urbach tail · Linked to 2 structured results
The framework is assigned as an inclined AA-stacked porous 2D honeycomb Fe3(THT)2(NH4)3 film.
Caveat: Main text says experimental PXRD agrees with inclined and eclipsed AA models, while DFT favours inclined AA.
main p.2, article p.1028 · Synthesis and sample characterization · Fig. 1c; Fig. S3 · Linked to 4 structured results
The strong temperature dependence of DC conductivity is attributed mainly to thermally activated carrier density rather than a falling DC mobility.
Caveat: Authors mention that grain-boundary scattering could contribute, but Hall data favour the carrier-density explanation over the analysed range.
main p.5, article p.1031 · Hall effect discussion · Fig. 3c-d · Linked to 3 structured results
Formation of dominant Fe(III) centres is rationalised by spontaneous one-electron transfer from Fe(II) to the ligand during synthesis, possibly accelerated by trace dissolved oxygen.
Caveat: The SI explicitly frames the electron-transfer process as a rationalisation; ligand redox non-innocence is acknowledged.
SI p.17/44 · Analysis of electron transfer during the MOF synthesis · Linked to 4 structured results
Fe3(THT)2(NH4)3 films support Drude-type band-like charge transport rather than hopping-dominated local transport in the measured TRTS/Hall regimes.
Caveat: TRTS probes photogenerated free carriers; SI notes that many photogenerated carriers are lost or localised within <100 fs and do not dominate the observed conductivity.
main p.3, article p.1029 · Photoconductivity by TRTS · Figs. 2-3 · Linked to 4 structured results
The temperature independence of THz and Hall mobilities indicates impurity scattering is the primary mobility-limiting mechanism.
Caveat: Authors also note possible phonon contribution between 300 K and about 250 K and other defect types could contribute.
main pp.3-5, article pp.1029-1031 · Photoconductivity and Hall discussion · Fig. 3 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Fe3(THT)2(NH4)3 two-dimensional metal-organic framework | Fe3(C18S6H6)2(NH4)3; abbreviated Fe3(THT)2(NH4)3Square-planar FeS4 iron bis(dithiolene) linkages; iron assigned mainly as Fe(III). · 2,3,6,7,10,11-triphenylenehexathiol (THT), C18S6H6 | 2D · PristinePi-d conjugated porous 2D honeycomb framework with van der Waals stacked layers; inclined AA stacking assigned from PXRD and DFT. | main p.2, article p.1028 · Synthesis and sample characterization · Fig. 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| DFT eclipsed AA-stacked Fe3(THT)2(NH4)3 multilayer modelresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Model · Model System · Model | DFT-optimised model.not_applicable · Periodic multilayer model with explicit NH4+ counterions. | SI p.21/44 · Electronic structure of Fe3(THT)2 2D MOFs with NH4+ counter ions · Fig. S12 |
| DFT inclined AA-stacked Fe3(THT)2(NH4)3 multilayer modelresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Model · Model System · Model | DFT-optimised model.not_applicable · Periodic multilayer model with explicit NH4+ counterions. | SI p.4/44 · First-principle calculations of Fe3(THT)2(NH4)3 layers · Fig. S9 |
| DFT Fe3(THT)2(NH4)3 monolayer modelresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Model · Model System · Model | DFT-optimised model.not_applicable · Monolayer slab with 10 A vacuum and explicit NH4+ counterions. | SI p.20/44 · Electronic structure of Fe3(THT)2 2D MOFs with NH4+ counter ions · Fig. S11 |
| Large-area free-standing Fe3(THT)2(NH4)3 multilayer filmresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Thin Film · Target Sample · Pristine Framework | Filtered on 0.45 um Nylon membrane, washed, peeled/transferred and dried at 60 C under Ar overnight.Initially formed as a free-standing film at the CHCl3/water interface; transferred to substrates including SiO2/Si. · Thickness tunable by reaction time; about 2 um after 72 h in main methods. | main Methods page · Synthesis of Fe3(THT)2(NH4)3 2D MOF film |
| Laser-ablated Hall-bar Fe3(THT)2(NH4)3 deviceresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Thin Film · Target Sample · Pristine Framework | Cold laser ablation Hall bar with Cr/Au contacts made by electron-beam lithography and thermal evaporation.Si/SiO2 wafer with 300 nm SiO2. · 1.7 um Fe3(THT)2(NH4)3 layer; W = 300 um for four-probe calculations. | main Methods page · Hall bar fabrication · Supplementary Fig. 15 |
| High-mobility variable-temperature TRTS filmresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Thin Film · Target Sample · Pristine Framework | Measured by TRTS under vacuum from 300 K to 100 K.Not specified for TRTS; quantum-yield estimate refers to a 1.7 um thick sample. · 1.7 um in SI charge-density estimate. | SI p.26/44 · Calculation of charge carrier density, quantum yield and mean free path · Fig. S14 |
| Low-mobility TRTS Fe3(THT)2(NH4)3 film sampleresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Thin Film · Target Sample · Pristine Framework | Measured by variable-temperature THz photoconductivity.Not specified. · Not specified. | SI p.25/44 · Photoconductivity of Fe3(THT)2(NH4)3 2D MOFs by THz spectroscopy · Fig. S13 |
| Room-temperature TRTS Fe3(THT)2(NH4)3 film sampleresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Thin Film · Target Sample · Pristine Framework | Measured by optical pump-THz probe under nitrogen.Not specified for the TRTS film in the extracted text. · Not specified for Fig. 2 sample. | main p.3, article p.1029 · Photoconductivity of Fe3(THT)2(NH4)3 2D MOF by TRTS · Fig. 2 |
| 70 nm two-probe Fe3(THT)2(NH4)3 film deviceresearch_0001__mat__fe3_tht2_nh4_3_2d_mof | Thin Film · Target Sample · Pristine Framework | Transferred film with top-contact Au electrodes; channel length 100 um, width 4.5 mm.n-doped Si wafer with 300 nm SiO2 dielectric. · 70 +/- 1 nm; additional room-temperature devices from 20 nm to 1.7 um. | SI p.38/44 · DC conductivity of the Fe3(THT)2(NH4)3 2D MOF film from 2-probe method · Fig. S22 |