Primary studyCore evidenceTransport Physics

Millimeter-scale semiconductive metal-organic framework single crystal for X-ray imaging

Cheng L., Liang C., Li B. et al. · Cell Reports Physical Science · 2022 · 101004

2materials
6samples
4synthesis routes
17measurements
56results
6claims and caveats

Evidence map

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Author interpretations and caveats

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

Application RelevanceSupport assessment: Medium

A 2 x 3 SCU-15 single-crystal pixelated detector can image an L-shaped lead plate under X-ray irradiation.

Caveat: Proof-of-concept imaging uses only six crystal pixels, and authors state finer imaging needs improved pixel processing.

main p.8 · X-ray detection performance · Figure 5E; Figure S21 · Linked to 8 structured results

Application RelevanceSupport assessment: High

SCU-15 maintains detector response and crystallinity after high accumulated X-ray dose and maintains structural integrity after two months in moist air.

Caveat: Reported as qualitative stability; no numerical degradation percentage was extracted.

main p.7-p.8 · X-ray detection performance · Figures S18-S20 · Linked to 3 structured results

Structure Property LinkSupport assessment: Medium

Smooth SCU-15 single-crystal surfaces and cracked pelleted morphology help explain superior carrier transport in the single-crystal device.

Caveat: The morphology-transport link is plausible and author-stated but not isolated by a controlled defect-density experiment.

main p.6 · Comparison of optoelectronic properties · Figures S14-S15 · Linked to 4 structured results

Structure Property LinkSupport assessment: High

The SCU-15 single-crystal detector has higher charge-carrier mobility-lifetime product, longer diffusion length, higher sensitivity and lower detection limit than the pelleted polycrystalline device.

Caveat: Device geometry and crystal orientation affect measurements; authors note optimisation of measurements versus local MOF structure remains future work.

main p.6-p.7 · Comparison of optoelectronic properties; X-ray detection performance · Figures 4E-4F; Figures 5B-5D · Linked to 8 structured results

Synthesis MechanismSupport assessment: Medium

Fast initial heating accelerates in situ disulfide-bond formation from 4-MBA and promotes growth of millimetre-scale SCU-15 single crystals.

Caveat: Mechanistic language is inferential; the evidence is heating-rate-dependent crystal size, S-S species trend and room-temperature control complex.

main p.3-p.4 · Synthesis and characterizations of SCU-15 large single crystals · Figures 2-3 · Linked to 2 structured results

Transport MechanismSupport assessment: High

SCU-15 shows intrinsic semiconductive behaviour with a 2.63 eV optical band gap, and DFT assigns a ligand-to-metal charge-transfer electronic structure.

Caveat: No conventional four-probe conductivity value is reported; transport evidence is dominated by detector/device measurements.

main p.4 · Density functional theory calculations · Figure 4A; Figure S8 · Linked to 3 structured results

Material identities

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

MaterialCompositionStructure contextSource
SCU-15UO2(SC6H4COO)2(DMF); CIF/Table S3 empirical formula C17H15NO7S2UUranyl UO2(2+) units; each uranium cation coordinated by three disulfide-linked carboxylate ligands and one DMF molecule · 4-mercaptobenzoic acid oxidised in situ to disulfide-linked (SC6H4COO)2(2-) ligand2D · PristineMonoclinic P21/c layered two-dimensional uranium-based semiconductive MOF with dense uranyl-carboxylate layers and interlayer U-O...H hydrogen bonds.main p.2 · Summary; Results and Discussion · Figure 1; Table S1
SCU-15 periodic DFT modelSCU-15 unit cell model based on experimental SC-XRD/CIF dataUranyl uranium sites from the experimental SCU-15 structure · Disulfide-linked carboxylate ligands from the experimental SCU-15 structure2D · Model SystemPeriodic computational model with lattice parameters and atomic configurations kept consistent with experimental SC-XRD data.main p.9 · Computation methods · Figure S8

Sample register

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

Show 6 sample records
SampleForm and roleProcessing and geometrySource
SCU-15 2 x 3 single-crystal array detectorresearch_0019__mat__scu15Electrode · Target Sample · Pristine FrameworkSix uniform 2 mm SCU-15 single crystals fabricated into a 2 x 3 pixelated array detector.Ag detector electrodes · six 2 mm single crystalsmain p.8-p.9 · X-ray detection performance; Fabrication · Figure 5E; Figure S21
SCU-15 crystalsresearch_0019__mat__scu15Single Crystal · Target Sample · Pristine FrameworkLight-yellow solvothermal crystals; crystal size tunable from about 50 um to 3 mm by controlling heating rate.main p.8-p.9 · Synthesis of SCU-15 · Figures 1-2; Figure S3
SCU-15 DFT model sampleresearch_0019__mat__scu15_dft_modelModel · Model System · ModelPeriodic unit-cell model derived from experimental SC-XRD structure.main p.9 · Computation methods · Figure S8
SCU-15 large single crystalresearch_0019__mat__scu15Single Crystal · Target Sample · Pristine FrameworkMillimeter-scale block crystal obtained at fast heating rate; largest face corresponds to the (011) plane.2.9 x 1.9 x 1.5 mm3 block single crystal reported for device fabricationmain p.2-p.5 · Introduction; Comparison of optoelectronic properties · Figure 2D; Figure S10
SCU-15 PP deviceresearch_0019__mat__scu15Pellet · Target Sample · Pristine FrameworkPure SCU-15 fine powder pelleted at 10 MPa and contacted as Ag/SCU-15 pellet/Ag detector.Ag contacts/electrodes · 3 mm diameter pellet mould; numeric thickness not reportedmain p.9 · Fabrication of SCU-15-SC, SCU-15 PP, and SCU-15 array detector devices · Figure S12
SCU-15 SC deviceresearch_0019__mat__scu15Single Crystal · Target Sample · Pristine FrameworkAg/SCU-15 single crystal/Ag vertical photoconductor; (011) crystal plane connected to the anode; cathode irradiation configuration.Ag contacts/electrodes · 3 mm single crystal used; device crystal described as 2.9 x 1.9 x 1.5 mm3main p.5 and p.9 · Comparison of optoelectronic properties; Fabrication of SCU-15-SC, SCU-15 PP, and SCU-15 array detector devices · Figure 4C; Figure S10