Skorupskii G., Le K.N., Cordova D.L.M. et al. · Proceedings of the National Academy of Sciences of the United States of America · 2022 · e2205127119
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 room-temperature single-crystal conductivities are reported as the highest for porous MOFs/materials, with Nd1.5HOTP exceeding 1,000 S/cm.
Caveat: Record claim is as stated by authors relative to prior literature; extraction did not independently re-rank later papers.
p005 · Results and Discussion · Linked to 3 structured results
The frameworks are structurally porous with accessible one-dimensional channels, but no gas-sorption porosity metric is reported in the supplied documents.
Caveat: Porosity evidence extracted here is crystallographic/structural; BET or uptake data were not present.
p002 · Fig. 1 caption · Fig. 1 · Linked to 2 structured results
Metallic transport is attributed to short pi-pi stacking of HOTP linkers along the crystallographic c direction, while in-plane Ln-O connectivity gives flatter bands.
Caveat: Mechanistic interpretation is based on DFT and optical anisotropy rather than direct carrier-mobility measurements.
p002 · Results and Discussion · Fig. 2 · Linked to 5 structured results
The incommensurate structural transition is assigned to charge-density-wave ordering, providing further evidence for metallic behaviour.
Caveat: CDW assignment is inferential from diffraction, Raman, critical behaviour and metallic band/transport evidence; no direct electronic gap measurement is reported.
p004-p005 · Results and Discussion · Fig. 4 · Linked to 5 structured results
Single crystals of La1.5HOTP and Nd1.5HOTP are metallic porous MOFs, supported by high room-temperature conductivities, Nd temperature-deactivated transport, and DFT band structures.
Caveat: Variable-temperature electrical transport was demonstrated for Nd1.5HOTP only because La crystals were not large enough for those measurements.
p001,p004 · Abstract/Results · Fig. 3 · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| La1.5HOTP; lanthanum 2,3,6,7,10,11-hexaoxytriphenylene framework | Ln1.5(2,3,6,7,10,11-hexaoxytriphenylene), Ln = La; SI formula [La(OH)(OH2)]1.5HOTP . 2.6 H2O . 1.5 MeOH . 0.3 DMALa3+ in square-antiprismatic lanthanide-oxygen chains; one hydroxo and one aquo ligand per metal in formula model · 2,3,6,7,10,11-hexaoxytriphenylene (HOTP), from H6HOTP precursor | 2D · PristineStacked honeycomb-like HOTP layers with one-dimensional accessible channels; monoclinic P21/n at 375 K; pi-pi stacking along crystallographic c direction. | p002 · Results and Discussion · Fig. 1 |
| Nd1.5HOTP; neodymium 2,3,6,7,10,11-hexaoxytriphenylene framework | Ln1.5(2,3,6,7,10,11-hexaoxytriphenylene), Ln = Nd; SI formula [Nd(OH)(OH2)]1.5HOTP . 2.9 H2O . 0.03 DMA . 0.1 Nd(NO3)3 . 0.06 MeOH . 0.16 CH3COOHNd3+ in lanthanide-oxygen coordination environment; DFT model uses one hydroxo and one aquo ligand per metal · 2,3,6,7,10,11-hexaoxytriphenylene (HOTP), from H6HOTP precursor | 2D · PristineStacked HOTP columns in a honeycomb-like framework; monoclinic C2/c at 375 K; incommensurate CDW modulation below about 370 K. | p002 · Results and Discussion · Fig. 1/Fig. 4 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| La1.5HOTP DFT modelresearch_0121__mat__la15hotp | Model · Model System · Model | Crystallographic high-temperature structure with minority disorder removed; H atoms added for aquo/hydroxo charge neutrality | p005 · Density functional theory calculations |
| La1.5HOTP single-crystal conductivity devicesresearch_0121__mat__la15hotp | Single Crystal · Target Sample · Pristine Framework | Washed crystals, stored under methanol/dichloromethane/diethyl ether; contacted in air with graphite adhesive and thin wiresGlass slides for room-temperature probe-station devices; Si/SiO2 or quartz for spectroscopy where applicable · Device diameters in Table S2: 5-15.2 um | p004 · Electrical conductivity measurements · Fig. S3/Table S2 |
| La1.5HOTP single crystal for diffraction/refinementresearch_0121__mat__la15hotp | Single Crystal · Target Sample · Pristine Framework | Crystals from mother liquor or solvent suspensions; mounted for single-crystal diffractionParatone oil/crystal loop or sealed polyimide capillary for temperature-dependent diffraction · Crystal size 0.300 x 0.040 x 0.040 mm3 in Table S1 | p018 · Table S1 · Table S1 |
| Ln1.5HOTP pressed pellet trial devicesresearch_0121__mat__nd15hotp | Pellet · Target Sample · Pristine Framework | Pressed pellet-based devices attempted for conductivityvan der Pauw pellet device | p006 · Electrical Conductivity Measurements |
| Nd1.5HOTP DFT modelresearch_0121__mat__nd15hotp | Model · Model System · Model | DFT model with FM order and GGA+U treatment of Nd 4f electrons | p005-p006 · Density functional theory calculations |
| Nd1.5HOTP single-crystal room-temperature conductivity devicesresearch_0121__mat__nd15hotp | Single Crystal · Target Sample · Pristine Framework | Washed crystals, contacted in air with graphite adhesive and thin copper wiresGlass slides for room-temperature probe-station devices · Device diameters in Table S2: 7.3-54.6 um | p004 · Electrical conductivity measurements · Table S2 |
| Nd1.5HOTP single crystal for diffraction/refinementresearch_0121__mat__nd15hotp | Single Crystal · Target Sample · Pristine Framework | Crystals from mother liquor or solvent suspensions; mounted for single-crystal diffractionParatone oil/crystal loop or sealed polyimide capillary for temperature-dependent diffraction · Crystal size 0.400 x 0.035 x 0.035 mm3 in Table S1 | p018 · Table S1 · Table S1 |
| Nd1.5HOTP variable-temperature single-crystal devicesresearch_0121__mat__nd15hotp | Single Crystal · Target Sample · Pristine Framework | Gold-wire graphite-adhesive devices measured in low-pressure heliumSapphire wafer pieces on PPMS resistivity puck · Only larger crystals >50 um thickness produced well-functioning variable-temperature devices | p004-p005 · Electrical conductivity measurements · Fig. 3C/Fig. S3 |