研究目的
To investigate the miscibility gap of CuSb 1- x Bi x S 2 (CABS) as a promising photo energy conversion material for band gap engineered solar cells and evaluate its applicability through theoretical predictions and experimental verifications.
研究成果
The CABS system shows high potential as an earth-abundant photoelectric conversion material, with the band gap easily tunable by adjusting Bi content. The thermodynamic stability increases with Bi content, facilitating the formation of the CABS compound.
研究不足
The study found that compositions with [Bi]/[Sb] + [Bi] more than 80% could not be synthesized based on the Cu–V–S structure, indicating a limitation in the range of achievable compositions.
1：Experimental Design and Method Selection:
The study combined ab initio calculations and thermodynamic modeling with mechanochemical synthesis methods to evaluate the CABS system.
2：Sample Selection and Data Sources:
CABS nanocrystals were synthesized with varying Sb and Bi ratios.
3：List of Experimental Equipment and Materials:
Mechanochemical synthesis was used to produce CABS nanocrystals.
4：Experimental Procedures and Operational Workflow:
The synthesis involved mechanical mixing at room temperature, with phase evolution monitored by XRD.
5：Data Analysis Methods:
The optical band gap was estimated using diffuse reflectance measurements and the Kubelka-Munk function.
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