Compositional heterogeneity in CsyFA1−yPb(BrxI1−x)3 perovskite films and its impact on phase behavior,Energy & Environmental Science

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Compositional heterogeneity in CsyFA1−yPb(BrxI1−x)3 perovskite films and its impact on phase behavior
Energy & Environmental Science ( IF 32.4 ) Pub Date : 2021-10-11 , DOI: 10.1039/d1ee01184g
Julien Barrier _{1,

2} , Rachel E. Beal _{1,

3} , Aryeh Gold-Parker _{1,

4} , Julian A. Vigil _{1,

5} , Eli Wolf _{6,

7} , Louis Waquier _{1,

2} , Nicholas J. Weadock _{1,

7} , Zihan Zhang ₈ , Laura T. Schelhas ₉ , Ana Flavia Nogueira ₁₀ , Michael D. McGehee _{7,

9} , Michael F. Toney ₇

Affiliation

Hybrid organic inorganic lead halide perovskite semiconductors of the form Cs_yFA_1−yPb(Br_xI_1−x)₃ are promising candidate materials for high-efficiency photovoltaics. Notably, cation and anion substitution can be used to tune the band gaps to optimize performance and improve stability. However, multi-component materials can be prone to compositional and structural inhomogeneity and the extent, length scale and impact of this heterogeneity on lead halide perovskite properties are not well understood. Here we use synchrotron X-ray diffraction to probe the evolution of crystal structure across the tetragonal-to-cubic phase transition for a series of Cs_yFA_1−yPb(Br_xI_1−x)₃ thin films with x = 0.05 to 0.3 and y = 0.17 to 0.40. We find that the transition occurs across a broad temperature range of approximately 40 °C, much larger than for pure compounds such as MAPbI₃ and MAPbBr₃. We hypothesize that this smearing of the phase transition is due to compositional inhomogeneities that give rise to a distribution of local transition temperatures and we estimate the composition varies by about 10% to 15% with likely greater heterogeneity for the halide anion than the cation. This approach of mapping the transition is a simple and effective method of assessing heterogeneity, enabling evaluation of its impact.

中文翻译：

CsyFA1−yPb(BrxI1−x)3 钙钛矿薄膜的成分异质性及其对相行为的影响

Cs _y FA _{1− y} Pb(Br _x I _{1− x} ) ₃形式的杂化有机无机卤化铅钙钛矿半导体是高效光伏的有前途的候选材料。值得注意的是，阳离子和阴离子取代可用于调整带隙以优化性能并提高稳定性。然而，多组分材料容易出现成分和结构的不均匀性，这种不均匀性对卤化铅钙钛矿性能的影响程度、长度尺度和影响尚不清楚。在这里，我们使用同步加速器 X 射线衍射来探测一系列 Cs _y FA在四方到立方相变过程中晶体结构的演变_{1− y} Pb(Br_x I_{1− x} )₃薄膜， x = 0.05 到 0.3， y = 0.17 到 0.40。我们发现转变发生在大约 40 °C 的宽温度范围内，远大于 MAPbI₃和 MAPbBr₃等纯化合物的转变. 我们假设这种相变模糊是由于成分不均匀导致局部转变温度分布，我们估计成分变化约 10% 到 15%，卤化物阴离子的异质性可能大于阳离子。这种绘制转变的方法是评估异质性的一种简单而有效的方法，可以评估其影响。

更新日期：2021-10-25

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