研究目的
Investigating the effect of chlorine atoms on the electrochemical, self-assembly, and carrier transport properties of nitrogen-embedded small-molecule semiconducting materials.
研究成果
The introduction and variation of chlorine atoms in nitrogen-embedded small molecules affect their optoelectronic properties, leading to differences in molecular packing and charge transport. Molecule 4c showed the highest electron mobility, but all exhibited n-type behavior. The research demonstrates the utility of chlorine substitution in tuning semiconducting properties, with potential for improved device performance through further optimization.
研究不足
The study is limited to specific synthesized molecules and may not generalize to other semiconducting materials. The electron mobilities achieved are relatively low compared to some high-performance materials, and the thin film morphologies have issues like grain boundaries that could limit device performance. Future work could optimize synthesis yields and explore other halogen substitutions.
1:Experimental Design and Method Selection:
The study involved synthesizing three small molecules (4a, 4b, 4c) through condensation reactions, followed by characterization using UV-Vis absorption, cyclic voltammetry (CV), atomic force microscopy (AFM), two-dimensional grazing incidence X-ray diffraction (2D-GIXRD), and fabrication of bottom gate/bottom contact organic field-effect transistors (OFETs) to evaluate charge transport properties. Theoretical methods included density functional theory (DFT) calculations.
2:Sample Selection and Data Sources:
Samples were the synthesized molecules 4a, 4b, and 4c. Data were obtained from laboratory experiments and theoretical simulations.
3:4c. Data were obtained from laboratory experiments and theoretical simulations. List of Experimental Equipment and Materials:
3. List of Experimental Equipment and Materials: Equipment included Bruker NMR spectrometers, Hitachi U-3010 spectrophotometer, Jasco FP-6000 spectrometer, Bruker TENSOR-27 IR spectrometer, CHI660c electrochemistry workstation, Digital Instruments Nanoscope V AFM, and Keithley 4200 SCS semiconductor parameter analyzer. Materials included chemical reagents like N,N-dimethylacetamide, sodium hydride, etc., and substrates such as OTS-treated SiO2/Si.
4:Experimental Procedures and Operational Workflow:
Synthesis involved alkylation and oxidation reactions, followed by condensation. Characterization included UV-Vis, CV, AFM, and 2D-GIXRD measurements. OFETs were fabricated by spin-coating solutions on substrates, annealing, and measuring electrical properties in a glovebox.
5:Data Analysis Methods:
Data were analyzed using Gaussian 03 for DFT calculations, and mobility was calculated from FET equations. Statistical analysis involved averaging over multiple devices.
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NMR Spectrometer
Fourier 300/400/500
Bruker Daltonics
Recording 1H and 13C NMR spectra of intermediates
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Mass Spectrometer
Biflex III
Bruker Daltonics
High resolution mass spectroscopy measurements
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Mass Spectrometer
9.4T Solarix
Bruker Daltonics
High resolution mass spectroscopy measurements
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Spectrophotometer
U-3010
Hitachi
Recording UV-Vis absorption spectra
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Spectrometer
FP-6000
Jasco
Recording photoluminescent spectra
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Spectrometer
TENSOR-27
Bruker Daltonics
Recording infra-red spectra
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Semiconductor Parameter Analyzer
4200 SCS
Keithley
Evaluating FET devices
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Elemental Analyzer
1106
Carlo-Erba
Elemental analyses
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Electrochemistry Workstation
CHI660c
Shanghai
Collecting cyclic voltammetry curves
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Atomic Force Microscope
Nanoscope V
Digital Instruments
Investigating thin film morphologies in tapping mode
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