Islam S., Datta J., Maity S. et al. · Crystal Growth and Design · 2019 · 4057-4062
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 FTO/compound 1/Al diode has better Schottky-device parameters than the compound 2 device, with higher rectification ratio, lower barrier height, and much lower series resistance.
Caveat: Only dark ambient J-V data are reported in the main article; raw data and reproducibility statistics are not provided.
p004 / article p.4060 · Results and Discussion - Electrical Studies · Table 1 · Linked to 6 structured results
The loss of pi...pi stacking interactions after photodimerisation significantly reduces electrical conductivity in the compound 2 device relative to compound 1.
Caveat: Device thickness and effective device area were not reported in the main text.
p004 / article p.4060 · Results and Discussion - Electrical Studies · Tables 1-2 · Linked to 3 structured results
Solid-state SCSC [2 + 2] photodimerisation converts compound 1 to compound 2 and removes adjacent-chain pi...pi stacking interactions among p-brba ligands.
Caveat: CIF files were not supplied locally; SI PDF structure tables and figures were read.
p003 / article p.4059 · Results and Discussion - Structural Descriptions · Figure 2 · Linked to 5 structured results
DFT band gaps of 3.52 eV for compound 1 and 3.77 eV for compound 2 follow the experimental conductivity trend, with the lower-gap compound 1 being more conductive.
Caveat: DFT method details are limited to Gaussian 09/B3LYP/LanL2DZ/TDDFT/GaussSum; no computational coordinates or raw output files were supplied.
p005 / article p.4061 · Results and Discussion - Theoretical Studies · Figure 4 · Linked to 4 structured results
The devices show three J-V regimes: Ohmic conduction at low voltage, SCLC governed by shallow traps in the intermediate regime, and a higher-voltage SCLC-related region influenced by exponential trap distributions.
Caveat: Mechanistic assignment is based on curve-shape analysis; dielectric constants are supported by SI capacitance data, but raw J-V and capacitance data are not supplied.
p004 / article p.4060 · Results and Discussion - Electrical Studies · Figure 3d,e; Table 2 · Linked to 6 structured results
Frequency-dependent capacitance measurements provide relative permittivities of 2.4 for compound 1 and 1.2 for compound 2, which are used in the SCLC/Mott-Gurney charge-transport analysis.
Caveat: The relative permittivity numbers are text-reported; the saturated capacitance plateaux are only visually estimated from Figure S9.
SI pp011-012 · Frequency Dependent Capacitance Measurements · Figure S9; eq S1 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Compound 1, [Cd(bpe)(p-brba)2]n | [Cd(bpe)(p-brba)2]n; empirical formula C26H18Br2CdN2O4Cd(II) centres; dinuclear [Cd2(mu2-O2CC)2] secondary building units · 1,2-bis(4-pyridyl)ethylene (bpe) and para-bromobenzoate (p-brba) | 1D · PristineTriclinic P-1 1D ladder coordination polymer; adjacent chains aggregate by Br...pi and pi...pi interactions to form a 3D supramolecular architecture. | p001 / article p.4057 · Abstract; Introduction |
| Compound 2, [Cd(rctt-tpcb)1/2(p-brba)2]n | [Cd(rctt-tpcb)1/2(p-brba)2]n; empirical formula C26H18Br2CdN2O4Cd(II) centres retained after SCSC photodimerisation · rctt-tetrakis(4-pyridyl)cyclobutane (rctt-tpcb) generated from bpe, plus para-bromobenzoate (p-brba) | 1D · DerivedPhotodimerised 1D coordination polymer obtained by SCSC [2 + 2] cycloaddition of compound 1; adjacent-chain pi...pi stacking among p-brba ligands is destroyed. | p001-p002 / article pp.4057-4058 · Abstract; Introduction · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Compound 1 capacitance/permittivity pellet or film sampleresearch_0302__mat__mat_1_cd_bpe_pbrba | Pellet · Target Sample · Pristine Framework | Frequency-dependent capacitance measurement; saturated capacitance used to derive relative permittivity.effective contact area 7.056 x 10^-6 m2 reported for capacitance measurement · approximately 10 um film thickness reported in SI capacitance section | SI p012 · Frequency Dependent Capacitance Measurements · Figure S9 |
| Computational model of compound 1research_0302__mat__mat_1_cd_bpe_pbrba | Model · Model System · Model | Gaussian 09 DFT-B3LYP/LanL2DZ model used for electronic structure calculations. | p002 / article p.4058 · Experimental Section - Theoretical Calculation · Figure 4 |
| FTO/compound 1/Al Schottky dioderesearch_0302__mat__mat_1_cd_bpe_pbrba | Thin Film · Target Sample · Pristine Framework | Compound 1 dispersed in DMF at 4 mg/uL, spin coated onto FTO glass at 800 rpm for 2 min, vacuum dried, then Al deposited by vacuum coating.fluorine-doped tin oxide (FTO) coated glass with aluminium top electrode | p002 / article p.4058 · Experimental Section - Device Fabrication and Characterization · Figure 3; Tables 1-2 |
| Compound 1 colourless block crystalsresearch_0302__mat__mat_1_cd_bpe_pbrba | Single Crystal · Target Sample · Pristine Framework | Slow-diffusion product kept in the dark; colourless block-shaped crystals obtained after one week. | p002 / article p.4058 · Experimental Section - Syntheses of Compounds |
| Compound 2 capacitance/permittivity pellet or film sampleresearch_0302__mat__mat_2_cd_tpcb_pbrba | Pellet · Target Sample · Pristine Framework | Frequency-dependent capacitance measurement; saturated capacitance used to derive relative permittivity.effective contact area 7.056 x 10^-6 m2 reported for capacitance measurement · approximately 10 um film thickness reported in SI capacitance section | SI p012 · Frequency Dependent Capacitance Measurements · Figure S9 |
| Computational model of compound 2research_0302__mat__mat_2_cd_tpcb_pbrba | Model · Model System · Model | Gaussian 09 DFT-B3LYP/LanL2DZ model used for electronic structure calculations. | p002 / article p.4058 · Experimental Section - Theoretical Calculation · Figure 4 |
| FTO/compound 2/Al Schottky dioderesearch_0302__mat__mat_2_cd_tpcb_pbrba | Thin Film · Target Sample · Pristine Framework | Compound 2 dispersed in DMF at 4 mg/uL, spin coated onto FTO glass at 800 rpm for 2 min, vacuum dried, then Al deposited by vacuum coating.fluorine-doped tin oxide (FTO) coated glass with aluminium top electrode | p002 / article p.4058 · Experimental Section - Device Fabrication and Characterization · Figure 3; Tables 1-2 |
| Compound 2 light yellow photodimerised block crystalsresearch_0302__mat__mat_2_cd_tpcb_pbrba | Single Crystal · Target Sample · Pristine Framework | Light yellow block crystals obtained by UV irradiation of compound 1 crystals for 30 min. | p002 / article p.4058 · Experimental Section - Syntheses of Compounds |