Choe M., Koo J.Y., Park I. et al. · Journal of the American Chemical Society · 2022 · 16726-16731
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 authors suggest the overall framework is negatively charged and proton compensated, but this is an assumption based on XPS ratios and absence of cation species in EDX.
Caveat: The charge-compensating proton is not directly observed; the C 1s ratio differs between the main text and SI.
SI S9 · Discussions of charge state · Scheme S3 · Linked to 4 structured results
GIWAXS and synchrotron XRD show that Cu3(C6O6)2 thin films have preferred edge-on orientation on SiO2/Si.
main p003 / article page 16728 · Structural analysis · Figure 2c-e · Linked to 3 structured results
The CVD-synthesised Cu3(C6O6)2 thin film adopts a slipped-parallel stacked structure rather than the previously reported AAA'A' or partially eclipsed structures.
Caveat: EXAFS 1-4 A fit is reported as not perfect because of high-k data limitations.
main p003 / article page 16728 · Structural analysis · Figure 2, Figures S18-S20 · Linked to 4 structured results
The high measured conductivity is consistent with DFT showing a very small AFM band gap and metallic states close in energy at room-temperature conditions.
Caveat: The connection between measured room-temperature transport and competing computed magnetic states is interpretive.
main p004 / article page 16729 · Electrical properties · Figures 3-4 · Linked to 4 structured results
The face-to-face inner tube CVD geometry is necessary for crystalline long-range ordered Cu3(C6O6)2 thin films under the reported conditions; without it, conventional CVD gave amorphous films.
Caveat: Control conditions were varied rather than exhaustively tabulated.
main p002 / article page 16727 · Results · Figure S2 · Linked to 3 structured results
Thin-film conductivity is thermally activated between 145 and 235 K and follows a 3D variable-range-hopping relation between 75 and 175 K, attributed to charge hopping between domains.
Caveat: No Mott T0 value was reported.
main p004 / article page 16729 · Electrical properties · Figure 4b,c · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Amorphous Cu3(C6O6)2-like conventional-CVD control filmBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | Cu3(C6O6)2-like amorphous thin film; exact phase not crystallographically assignedCopper from Cu(acac)2 precursor. · THQ-derived C6O6-type ligand environment expected, but amorphous control composition is not fully assigned. | unknown · UnknownAmorphous thin film obtained without face-to-face inner tubes. | main p002 / article page 16727 · Results · Figure S2 |
| Cu3(C6O6)2 conductive MOFBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | Cu3(C6O6)2; charge state discussed as [Cu3(C6O6)2]2.2- with proton compensationCopper nodes, mainly Cu(II) by XANES and mixed Cu2+:Cu+ = 2:1 by XPS. · C6O6 linker generated from tetrahydroxy-1,4-benzoquinone (THQ) by vapor-phase ligand substitution. | 2D · PristineLayered 2D conductive MOF thin film with slipped-parallel stacking and edge-on orientation on SiO2/Si. | main p001 / article page 16726 · Abstract and Results |
| Cu3(C6O6)2 slipped-parallel DFT modelBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | Cu3(C6O6)2 model structureCu ions in a kagome-like lattice. · C6O6 linkers in the Pawley-refined slipped-parallel model. | 2D · Model SystemDFT-relaxed slipped-parallel stacking model using Pawley-refined lattice parameters. | SI S6 · Electronic structure calculation within DFT · Figure S18 and Table S4 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Conventional CVD control film without face-to-face inner tubesresearch_0142__mat__mat_amorphous_cvd_control | Thin Film · Pristine Control · Unknown | Control CVD without the face-to-face inner tube system; amorphous product.SiO2/Si substrate in conventional CVD control setup | SI S11 · Figure S2 caption · Figure S2 |
| EBL-patterned Cu3(C6O6)2 four-point-probe thin-film deviceresearch_0142__mat__mat_cu3c6o6_2 | Electrode · Target Sample · Pristine Framework | PMMA EBL, Au 50 nm deposition, lift-off, gold-wire PCB mounting; measured under high vacuum.Cu3(C6O6)2 thin film on SiO2/Si with Au electrodes, PCB mounted · Thickness measured for conductivity conversion; specific device thickness not reported in the main conductivity sentence. | main p004 / article page 16729 · Electrical properties · Figure 4a, Figures S24-S26 |
| Cu3(C6O6)2 NM/FM/AFM computational modelresearch_0142__mat__mat_cu3c6o6_2_dft_model | Model · Model System · Model | Spin-polarised VASP DFT+U calculations on Pawley-refined slipped-parallel Cu3(C6O6)2 structure. | SI S6 · Electronic structure calculation within DFT · Figure S23 |
| CVD Cu3(C6O6)2 thin film on SiO2/Siresearch_0142__mat__mat_cu3c6o6_2 | Thin Film · Target Sample · Pristine Framework | All-vapor-phase face-to-face inner-tube CVD product; crystalline dark-blue/highly reflective film.300 nm SiO2/Si, 1 cm x 1 cm · Controlled by precursor amounts; average thicknesses reported from 55.0 to 662.7 nm, with main text range 32.4-662.7 nm. | SI S4 · Synthesis of Cu3(C6O6)2 thin film and powder by a CVD method |
| Scraped Cu3(C6O6)2 powder pelletresearch_0142__mat__mat_cu3c6o6_2 | Pellet · Target Sample · Pristine Framework | Powder physically scraped from the CVD thin film and pelletised for two-point conductivity.Pellet diameter: 2 mm; thickness reported as 0.240 nm in SI text, likely a source typo but retained as written. | SI S4 · Synthesis of Cu3(C6O6)2 thin film and powder by a CVD method |