研究目的
To prepare and characterize a novel hybrid complex of lanthanum chloride with urea and thiourea for optoelectronic applications, focusing on its structural, optical, electrical, and thermal properties.
研究成果
The La{CS(NH2)2CO(NH2)2}Cl3 hybrid complex exhibits orthorhombic structure, high crystallinity, 96% transmittance in the visible region, direct band gap of 4.0–4.68 eV, dielectric properties with maximum constant of 36.62 at 10 kHz and 453 K, ac conductivity governed by correlated barrier hopping, and thermal stability up to 182.72°C. These characteristics make it suitable for optoelectronic devices, with recommendations for future studies on device integration and performance testing.
研究不足
The study is limited to room temperature growth and specific frequency/temperature ranges for dielectric measurements. Potential optimizations include exploring different growth conditions, extending frequency ranges, and investigating doping effects for enhanced properties.
1：Experimental Design and Method Selection:
The study employed a conventional solution method for crystal growth at room temperature using slow evaporation technique. Characterization methods included X-ray diffraction (single crystal and powder), scanning electron microscopy, Fourier transform infrared spectroscopy, UV-Vis absorption spectroscopy, dielectric analysis, and thermogravimetric/differential thermal analysis.
2：Sample Selection and Data Sources:
The sample was synthesized from equimolar solutions of urea and thiourea (99% purity) in triple distilled water, with lanthanum chloride (99% purity) added. Data were collected from the grown single crystals.
3：List of Experimental Equipment and Materials:
Equipment included Oxford X-ray diffractometer (MoKα wavelength 0.71073 ?), X'Pert3 (PANalytical) diffractometer, VEGA3 TESCAN (USA) scanning electron microscope, IR Prestige (Shimadzu) spectrophotometer for FTIR, Shimadzu UV3600 spectrophotometer for UV-Vis, Hewlett Packard model 4192A-LF impedance analyzer for dielectric measurements, and TG/DTA apparatus for thermal analysis. Materials were urea, thiourea (s d fine CHEM limited), lanthanum chloride (Indian Earths Ltd.), and triple distilled water.
4：71073 ?), X'Pert3 (PANalytical) diffractometer, VEGA3 TESCAN (USA) scanning electron microscope, IR Prestige (Shimadzu) spectrophotometer for FTIR, Shimadzu UV3600 spectrophotometer for UV-Vis, Hewlett Packard model 4192A-LF impedance analyzer for dielectric measurements, and TG/DTA apparatus for thermal analysis. Materials were urea, thiourea (s d fine CHEM limited), lanthanum chloride (Indian Earths Ltd.), and triple distilled water. Experimental Procedures and Operational Workflow:
4. Experimental Procedures and Operational Workflow: The solution was stirred for four hours, filtered, and left undisturbed for nucleation and growth over 18 days. Characterization involved structural analysis via XRD, morphology via SEM, functional group identification via FTIR, optical properties via UV-Vis, dielectric properties via impedance analysis over frequency and temperature ranges, and thermal stability via TG/DTA.
5：Data Analysis Methods:
Data were analyzed using Debye-Scherer formula for crystallite size, Tauc's relation for band gap, Arrhenius equation for activation energy, and universal power law for ac conductivity. Software included Powder–X for XRD indexing and linear fitting for various plots.
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X-ray diffractometer
Oxford X-ray diffractometer with MoKα wavelength 0.71073 ?
Oxford
Used for single crystal X-ray diffraction to determine structural parameters.
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X-ray diffractometer
X'Pert3
PANalytical
Used for powder X-ray diffraction to assess crystallinity.
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Spectrophotometer
IR Prestige
Shimadzu
Used for Fourier transform infrared spectroscopy in the range 4000–400 cm?1.
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Spectrophotometer
UV3600
Shimadzu
Used for UV-Vis absorption spectroscopy.
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Scanning electron microscope
VEGA3
TESCAN
Used for morphology analysis via scanning electron microscopy.
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Impedance analyzer
4192A-LF
Hewlett Packard
Used for dielectric property measurements in frequency range 10 kHz–1 MHz and temperature range 303–453 K.
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Thermogravimetric and differential thermal analyzer
Used for thermal stability analysis via TG/DTA techniques in temperature range 28–1000°C.
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