Ahmed F., Halder S., Dutta B. et al. · New Journal of Chemistry · 2017 · 11317-11323
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.
An ITO/compound 1/Al junction behaves as a Schottky diode with rectifying I-V behaviour and measurable conductivity.
Caveat: No independent pristine non-device control film is reported; all electrical parameters are from the fabricated junction.
p003-p004 · Electrical characterization · Fig. 4; Table 1 · Linked to 3 structured results
The optical and calculated gaps support assignment of semiconducting behaviour for compound 1.
Caveat: Optical band gap is an extrapolated approximate value from a Tauc plot; DFT uses a single motif model.
p003 · Optical characterization; DFT and the band gap · Fig. 2; Fig. 3 · Linked to 2 structured results
Compound 1 is a 1D Cu(II) coordination polymer whose chains assemble by hydrogen bonding into 2D sheets and by C-H...pi interactions into a 3D supramolecular network.
Caveat: Framework is described as a coordination polymer/supramolecular aggregate, not a permanently porous MOF.
p002 · Structural description · Fig. 1; Fig. S1 · Linked to 3 structured results
Forward-bias transport is interpreted as ohmic at low bias, SCLC in an intermediate region, and trap-free SCLC at higher voltages.
Caveat: Region boundaries and slopes are shown graphically in Fig. 7 but not tabulated numerically.
p004-p005 · Electrical characterization · Fig. 7; Fig. 8 · Linked to 4 structured results
The authors attribute conductivity to metal-dependent through-space charge transport via non-covalent hydrogen-bonding interactions, with Cu(II) centres playing a key role.
Caveat: Mechanistic attribution is interpretive and based on structure/DFT plus device analysis rather than direct microscopic charge-transport mapping.
p004 · Electrical characterization · Table S4 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| [Cu(fum)(4-phpy)2(H2O)] | C26H22CuN2O5Cu(II) centres in square-pyramidal coordination environments · fumarate (fum) and 4-phenylpyridine (4-phpy) | 1D · PristineOrthorhombic P212121 1D coordination polymer; 1D chains assemble through hydrogen bonding into 2D sheets and through C-H...pi interactions into a 3D supramolecular aggregate. | p001 · Abstract |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| as-synthesised compound 1 bulk crystals/powderresearch_0595__mat__compound_1 | Powder · Target Sample · Pristine Framework | Block-shaped blue crystals obtained by solution layering; bulk powder used for PXRD, TGA and FESEM. | p002 · Synthesis of compound 1 |
| DFT coordination motif model of compound 1research_0595__mat__compound_1 | Model · Model System · Model | Single-unit coordination motif optimised computationally. | p003 · Density functional theory (DFT) and the band gap · Fig. 3 |
| single crystals of compound 1research_0595__mat__compound_1 | Single Crystal · Target Sample · Pristine Framework | Single crystals selected for SCXRD. | p002 · General X-ray crystallography |
| ITO/compound 1/Al Schottky device thin filmresearch_0595__mat__compound_1 | Thin Film · Target Sample · Pristine Framework | Spin-coated dispersed compound 1 film, vacuum dried at 90 C, then Al electrodes deposited.ITO-coated glass with aluminium top electrodes · 1 um taken for SCLC calculations | p002 · Device fabrication and characterization |