研究目的
Investigating the formation thermodynamics, stability, and decomposition pathways of CsPbX3 (X = Cl, Br, I) photovoltaic materials to understand their intrinsic and extrinsic stability compared to CH3NH3PbX3.
研究成果
The study concludes that CsPbX3 perovskites are marginally more stable than CH3NH3PbX3, with the entropic contribution to their Gibbs free energy of formation being significant. The presence of gaseous O2, H2O, and CO2 is crucial for the stability of CsPbI3, while CsPbCl3 and CsPbBr3 are less sensitive to these agents. However, liquid water degrades all CsPbX3 halides.
研究不足
The study is limited by the lack of data on the entropies of CsPbX3, which are crucial for a complete thermodynamic analysis. The experimental setup may also introduce uncertainties in the measurement of enthalpies.
1:Experimental Design and Method Selection:
Solution calorimetry was used to measure the standard enthalpies of formation of CsPbX3 from halides and from elements at 298 K.
2:Sample Selection and Data Sources:
CsPbX3 samples were synthesized through various methods to ensure high purity.
3:List of Experimental Equipment and Materials:
XRD 7000 diffractometer (Shimadzu, Japan) for phase composition study, homebuilt Calvet-type microcalorimeter for enthalpy measurements.
4:Experimental Procedures and Operational Workflow:
Synthesis of CsPbX3 by melting, precipitation, and dissolution in specific solvents, followed by XRD and calorimetric measurements.
5:Data Analysis Methods:
Calculation of formation enthalpies using solution calorimetry data, comparison with literature values, and thermodynamic analysis of stability and decomposition pathways.
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