The Electronic Disorder Landscape of Mixed Halide Perovskites.
The Electronic Disorder Landscape of Mixed Halide Perovskites.
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DOI：
10.1021/acsenergylett.2c02352
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发表时间：
2023-01-13
影响因子：
22
通讯作者：
Friend, Richard H.
中科院分区：
文献类型：
--
作者：
Liu, Yun;Banon, Jean-Philippe;Frohna, Kyle;Chiang, Yu-Hsien;Tumen-Ulzii, Ganbaatar;Stranks, Samuel D.;Filoche, Marcel;Friend, Richard H.
掺铅卤化物钙钛矿的带隙可调性使其在光电子学中具有广泛的应用前景。在这里，我们用局域化景观理论揭示了由碘：溴组成合金化引起的静态无序对Urbach能量的贡献至多为3 meV。我们的模拟表明，这种小的贡献是由于钙钛矿中的小有效质量，导致电子和空穴的有效禁闭势的自然长度尺度约为20 nm，并且消除了短程势的波动。在成分范围内Urbach能量的增加与我们的光吸收测量很好地一致。我们对尺寸高达80纳米的体系进行三维建模，使我们能够准确地再现实验观察到的具有卤化物偏析的钙钛矿的吸收光谱。我们的结果表明，我们应该超越静态的贡献，而关注动态的温度对Urbach能量的贡献。
Band gap tunability of lead mixed halide perovskites makes them promising candidates for various applications in optoelectronics. Here we use the localization landscape theory to reveal that the static disorder due to iodide:bromide compositional alloying contributes at most 3 meV to the Urbach energy. Our modeling reveals that the reason for this small contribution is due to the small effective masses in perovskites, resulting in a natural length scale of around 20 nm for the “effective confining potential” for electrons and holes, with short-range potential fluctuations smoothed out. The increase in Urbach energy across the compositional range agrees well with our optical absorption measurements. We model systems of sizes up to 80 nm in three dimensions, allowing us to accurately reproduce the experimentally observed absorption spectra of perovskites with halide segregation. Our results suggest that we should look beyond static contribution and focus on the dynamic temperature dependent contribution to the Urbach energy.
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影响因子：
8.6
作者：
DRABOLD, DA;FEDDERS, PA;SANKEY, OF
通讯作者：
SANKEY, OF
DOI：
10.1073/pnas.1120432109
发表时间：
2012-09-11
影响因子：
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作者：
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通讯作者：
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影响因子：
5.7
作者：
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通讯作者：
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