研究目的
Investigating the synthesis, characterization, and application of ((CH3)3S)2SnI6-nCln and ((CH3)3S)2SnI6-nBrn (n=1, 2) perovskites as hole transporting materials in dye-sensitized solar cells.
研究成果
Lead-free, air-stable, low toxic ((CH3)3S)2SnI6-nCln and ((CH3)3S)2SnI6-nBrn (n=1, 2) defect perovskites have high potential for solar cell applications. The photophysical characterization and DFT computational calculation confirm that the lattice vibrations modes and electronic bandgaps depend largely on the effect of mixing I and Cl/Br atoms. These perovskites were successfully utilized as HTMs in electrolyte-free dye-sensitized solar cells, achieving power conversion efficiencies up to 5%. The results promote trimethyl sulfonium tin-based perovskites as chemically stable hole-transport materials in lead-free solar cells.
研究不足
The study focuses on the synthesis and characterization of specific perovskite materials and their application in DSSCs. The performance of these materials in other types of solar cells or under different conditions was not explored. The environmental impact and scalability of the synthesis process were not addressed.
1：Experimental Design and Method Selection:
The study involved the synthesis of new air-stable ((CH3)3S)2SnI6-nCln and ((CH3)3S)2SnI6-nBrn (n=1, 2) defect perovskites using solid-state chemistry protocols. The structural, vibrational, and electronic properties were characterized using X-ray powder diffraction (XRPD), Raman spectroscopy, and UV-Vis spectroscopy. Density functional theory (DFT) calculations were performed to determine the density of states (DOS) distribution and corresponding band energy structures.
2：Sample Selection and Data Sources:
The perovskites were synthesized from precursors including (CH3)3SBr, Sn, resublimed I2, dimethyl sulfide, and methyl chloroformate. The synthesized materials were used to fabricate dye-sensitized solar cells (DSSCs).
3：List of Experimental Equipment and Materials:
Equipment included a Siemens D-500 diffractometer for XRPD, a Renishaw in-Via Reflex spectrometer for Raman spectroscopy, a Hitachi U-3010 UV-Vis spectrophotometer for diffuse reflectance spectra, and a Xenon 300 W source solar simulator for solar cell performance evaluation. Materials included TiO2 paste, TiCl4, various dyes (Z907, N719, MK-2, D35), and dopants (Li-TFSI, TBP).
4：Experimental Procedures and Operational Workflow:
The perovskites were synthesized by reacting precursors in sealed silica tubes under vacuum and heating. DSSCs were fabricated by depositing TiO2 layers on FTO glass, sensitizing with dyes, and applying perovskite solutions as HTMs.
5：Data Analysis Methods:
Rietveld analysis was used for structural refinement from XRD data. Raman spectra were analyzed for vibrational modes. UV-Vis spectra were transformed into Kubelka-Munk units for band gap determination. DFT calculations provided electronic structure insights.
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