Primary studyCore evidenceTransport Physics

Single Crystals of Electrically Conductive Two-Dimensional Metal-Organic Frameworks: Structural and Electrical Transport Properties

Day R.W., Bediako D.K., Rezaee M. et al. · ACS Central Science · 2019 · 1959-1964

2materials
8samples
6synthesis routes
10measurements
48results
7claims and caveats

Evidence map

Open a family to keep every result attached to its sample, method and conditions.

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

CaveatSupport assessment: High

Cu3(HHTP)2 transport values are more variable than Ni3(HITP)2 because reliable ohmic contacts are harder to form, and low-temperature Cu3(HHTP)2 characterisation was prevented by conductance loss.

Caveat: Room-temperature conductivities remain useful estimates/lower bounds for the measured devices.

main p.3, article p.1961 · Results and Discussion · Figure 3c; SI Figure 7 · Linked to 3 structured results

CaveatSupport assessment: Medium

The Ni3(HITP)2 positive magnetoresistance is reversible and stronger at low temperature, but its exact microscopic origin cannot be assigned without future multiterminal magnetotransport.

Caveat: The current device geometry may mix Hall and longitudinal resistance.

main p.2, article p.1960 · Results and Discussion · Figure 2b inset · Linked to 1 structured result

Phase AssignmentSupport assessment: High

Ni3(HITP)2 and Cu3(HHTP)2 are not isostructural: Ni3(HITP)2 is eclipsed/near-eclipsed, while Cu3(HHTP)2 has tilted/non-eclipsed stacking with stacking-offset variation or defects.

Caveat: Cu3(HHTP)2 Rietveld refinement was not possible because PXRD data quality was insufficient; the structural model is Pawley- and TEM-supported.

main p.3-4, article pp.1961-1962 · Results and Discussion · Figure 4; SI Figure 13 and Table S1 · Linked to 6 structured results

Structure Property LinkSupport assessment: Medium

The nonmetallic behaviour of polycrystalline Ni3(HITP)2 films is likely extrinsic to the material and related to anisotropy, grain boundaries or film preparation.

Caveat: The paper calls for additional work rather than directly quantifying grain-boundary and anisotropy contributions.

main p.5, article p.1963 · Results and Discussion · Figure 2 · Linked to 3 structured results

Synthesis MechanismSupport assessment: Medium

Large isolated conductive 2D MOF crystals require control over nucleation, metal-ligand reversibility, ligand stacking and ligand oxidation; oxygen availability is especially important for Ni3(HITP)2 and may limit some Cu3(HHTP)2 syntheses.

Caveat: This is a phenomenological growth discussion, not a quantified kinetic study.

SI p.4-5 · Growth Discussion · SI Figures 1 and 5

Transport MechanismSupport assessment: High

Ni3(HITP)2 single rods exhibit metallic or degenerate-doped transport down to 0.3 K, unlike the semiconducting/localised response of polycrystalline film devices.

Caveat: The rod devices include significant out-of-plane transport; full intrinsic anisotropy is not separately quantified.

main p.1 and p.3, article pp.1959 and 1961 · Abstract; Results and Discussion · Figure 2; SI Figures 2-4 · Linked to 5 structured results

Transport MechanismSupport assessment: Medium

Out-of-plane transport in these layered conductive 2D MOFs is experimentally relevant and should not be disregarded relative to in-plane transport.

Caveat: Conductivity anisotropy was not directly separated; inference comes from rod-device geometry, pellet comparisons and DFT band/DOS support.

main p.5, article p.1963 · Results and Discussion · Figures 2 and 3; SI Figure 3 · Linked to 5 structured results

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

MaterialCompositionStructure contextSource
Cu3(HHTP)2Browse family: Cu₃(HHTP)₂ / Cu–HHTPCu3(2,3,6,7,10,11-hexahydroxytriphenylene)2Cu/O coordination nodes in a layered 2D framework. · HHTP, 2,3,6,7,10,11-hexahydroxytriphenylene.2D · PristineLayered conductive 2D MOF; HRTEM/FFT and synchrotron PXRD support tilted/non-eclipsed stacking rather than the Ni3(HITP)2 near-eclipsed model.main p.3-4, article pp.1961-1962 · Results and Discussion · Figures 3 and 4b-c
Ni3(HITP)2Browse family: Ni₃(HITP)₂ / Ni–HITPNi3(2,3,6,7,10,11-hexaiminotriphenylene)2Ni/NH coordination nodes in a honeycomb 2D framework. · HITP, formed from 2,3,6,7,10,11-hexaaminotriphenylene hexahydrochloride (HATP.6HCl).2D · PristineLayered honeycomb conductive 2D MOF; HRTEM/FFT and PXRD support an eclipsed or near-eclipsed stacking configuration with continuous pores.main p.1-4, article pp.1959-1962 · Abstract; Results and Discussion · Figures 1, 2 and 4a

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 8 sample records
SampleForm and roleProcessing and geometrySource
Exfoliated Cu3(HHTP)2 flakesresearch_0005__mat__cu3_hhtp2Nanosheet · Target Sample · Pristine FrameworkWashed Cu3(HHTP)2 particles sonicated in solvent, centrifuged and isolated from blue supernatant.Drop-cast on Si/SiO2 for electrical devices; imaged by SEM, AFM and TEM. · Widths ~1 um and heights ~50-500 nm in the main text; SI AFM examples include 130, 320, 380 and 400 nm.main p.3-4, article pp.1961-1962 · Results and Discussion · Figure 4c; SI Figure 6
Cu3(HHTP)2 particlesresearch_0005__mat__cu3_hhtp2Powder · Target Sample · Pristine FrameworkBlue powder from copper sulfate/HHTP route, centrifuged and washed in water, ethanol and acetone twice each.Six-sided particles with widths up to 5 um.SI p.2 and p.9 · Methods - Synthesis; Supplementary Figure 5 · SI Figure 5
Cu3(HHTP)2 pellets from rod and particle batchesresearch_0005__mat__cu3_hhtp2Pellet · Pristine Control · Pristine FrameworkPellets from the Cu3(HHTP)2 particle batch used to exfoliate flakes and from the Cu3(HHTP)2 rod batch.main p.3, article p.1961 · Results and Discussion · Figure 3
Cu3(HHTP)2 rodsresearch_0005__mat__cu3_hhtp2Single Crystal · Target Sample · Pristine FrameworkBlue powder centrifuged and washed in water, ethanol and acetone twice each.None during synthesis; drop-cast on Si/SiO2 for devices and Cu-mesh lacey-C grids for TEM. · Rods or six-sided cross sections from ~100 nm up to 5 um depending on synthesis; SI device rods 111-154 nm width/height.main p.3, article p.1961 · Results and Discussion · Figure 3a,c; SI Figure 7
NiHITP/Ni3(HITP)2 DFT modelresearch_0005__mat__ni3_hitp2Model · Model System · ModelExperimental crystal structure geometry-equilibrated in VASP before HSE06 band-structure calculation.SI p.7 · Supplementary Figure 3 · SI Figure 3
Polycrystalline Ni3(HITP)2 film deviceresearch_0005__mat__ni3_hitp2Thin Film · Pristine Control · Pristine FrameworkPolycrystalline film device used as a transport comparison; synthesis details for this comparison film are not provided in the assigned text.main p.2-3, article pp.1960-1961 · Results and Discussion · Figure 2d
Isolated Ni3(HITP)2 rodsresearch_0005__mat__ni3_hitp2Single Crystal · Target Sample · Pristine FrameworkBlack powder centrifuged and washed in water, ethanol and acetone twice each.None during synthesis; drop-cast on Si/SiO2 for devices and Cu-mesh lacey-C grids for TEM. · Rods up to ~2 um length and ~200 nm diameter.main p.2, article p.1960 · Results and Discussion · Figure 2a; SI Figure 1
Single-rod Ni3(HITP)2 electrical devicesresearch_0005__mat__ni3_hitp2Single Crystal · Target Sample · Pristine FrameworkRods suspended in ethanol, drop-cast, coated with MMA/PMMA, patterned by e-beam lithography and contacted with Ti/Pd.Si substrates covered by SiO2 with pre-patterned optical alignment marks. · Representative device: D23 = 188 nm, L23 = 164 nm; two-probe L14 = 955 nm.SI p.4 and p.8 · Device fabrication; Supplementary Figure 4 · Main Figure 2; SI Figure 4