Pathak A., Shen J.-W., Usman M. et al. · Nature Communications · 2019 · 1721
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.
Compound 1 has the highest electrical conductivity reported for single-crystal MOFs at the time of publication.
Caveat: Claim is time-bound to the literature known by the authors in 2019; comparative literature values are in Supplementary Table 2 and are not first-hand measurements here.
4 · Electrical conductivity measurement · Supplementary Table 2 · Linked to 2 structured results
Compound 1 is phase-pure by PXRD, maintains crystallinity after 100 C annealing, is thermally stable to 340 C, and is a dense low-porosity MOF.
Caveat: The BET/surface-area value is reported with uptake-like units in the main text.
2-3 · Synthesis; Crystal structure · Fig. 2c; Supplementary Figs. 4-8 · Linked to 4 structured results
Compound 1 behaves as a low-bandgap semiconductor with optical bandgap 1.34 eV and calculated bandgap about 1.20 eV.
Caveat: Optical gap is estimated by Kubelka-Munk extrapolation; calculated gap uses PBE-level DFT.
4-6 · Bandgap investigations; Summary · Supplementary Fig. 18; Fig. 4 · Linked to 3 structured results
The MOF forms by in situ cleavage of S-S bonds in 6,6'-dithiodinicotinic acid under hydrothermal conditions.
Caveat: The paper states the cleavage route but does not provide mechanistic kinetic evidence.
1-2, 6 · Abstract; Synthesis; Methods · Fig. 1 · Linked to 2 structured results
The high conductivity arises from charge transfer through the two-dimensional (-Cu-S-)n plane, enabled by Cu d-orbital and S p-orbital coupling.
Caveat: Mechanism is supported by structure and DFT but directional experimental conductivity anisotropy was not separately reported.
4-6 · Electrical conductivity measurement; Theoretical DFT study · Fig. 4 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Compound 1; {[Cu2(6-Hmna)(6-mn)].NH4}n | {[Cu2(6-Hmna)(6-mn)].NH4}n; empirical formula C12H11Cu2N3O4S2Cu(I) centres in CuS3N coordination units; Cu-S plane · 6-Hmna = 6-mercaptonicotinic acid; 6-mn = 6-mercaptonicotinate; generated from 6,6'-dithiodinicotinic acid | 2D · PristineLayered orthorhombic MOF, space group Pna21, with two-dimensional (-Cu-S-)n sheets in the ab plane separated by organic pendant arms and NH4+ counterions. | 2-3 · Results and discussion; Crystal structure · Fig. 2; Supplementary Table 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Compound 1 single-crystal device, sample 3research_0104__mat__mof_1_cu_s_plane | Single Crystal · Target Sample · Pristine Framework | FIB-fabricated four-probe device; crystal from a different batch.SiO2 (300 nm)/n-Si template with Ti/Au pre-patterned electrode and FIB-deposited Pt contacts · 1250 nm | 3 · Electrical conductivity measurement · Fig. 3; Supplementary Fig. 12 |
| Annealed compound 1 sample 1research_0104__mat__mof_1_cu_s_plane | Single Crystal · Target Sample · Pristine Framework | Annealed at 50 C for 24 h and monitored for 18 h in vacuum/air stability experiment.SiO2/n-Si device substrate with metal contacts · 645 nm | 4 · Electrical conductivity measurement · Supplementary Fig. 13 |
| Compound 1 single-crystal device, sample 1research_0104__mat__mof_1_cu_s_plane | Single Crystal · Target Sample · Pristine Framework | FIB-fabricated four-probe device; post-annealing not required for ohmic contact.SiO2 (300 nm)/n-Si template with Ti/Au pre-patterned electrode and FIB-deposited Pt contacts · 645 nm | 3, 6 · Electrical conductivity measurement; Methods · Fig. 3; Supplementary Fig. 12 |
| Compound 1 single-crystal device, sample 2research_0104__mat__mof_1_cu_s_plane | Single Crystal · Target Sample · Pristine Framework | FIB-fabricated four-probe device; crystal from a different batch.SiO2 (300 nm)/n-Si template with Ti/Au pre-patterned electrode and FIB-deposited Pt contacts · 957 nm | 3 · Electrical conductivity measurement · Fig. 3; Supplementary Fig. 12 |
| As-synthesised brown rod-shaped crystals of compound 1research_0104__mat__mof_1_cu_s_plane | Single Crystal · Target Sample · Pristine Framework | As isolated, washed with water and DMF, dried at room temperature. | 2, 6 · Synthesis; Methods · Fig. 1; Supplementary Figs. 1-2 |
| Compound 1 powder/Nafion glassy-carbon electroderesearch_0104__mat__mof_1_cu_s_plane | Electrode · Target Sample · Composite | MOF ground to powder, mixed with acetonitrile and Nafion, applied as a thin layer on glassy carbon.Glassy carbon electrode | 6 · Electrochemical measurements · Supplementary Fig. 16 |
| Periodic DFT model of compound 1research_0104__mat__mof_1_cu_s_plane | Model · Model System · Model | Experimentally determined unit cell optimised with fixed lattice parameters. | 5-6 · Theoretical DFT study; Details of DFT simulations · Fig. 4; Supplementary Figs. 19-22 |