Atomic Layer Deposition of an Sb2Se3 Photoabsorber Layer Using Selenium Dimethyldithiocarbamate as a New Se Precursor,Chemistry of Materials

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Atomic Layer Deposition of an Sb2Se3 Photoabsorber Layer Using Selenium Dimethyldithiocarbamate as a New Se Precursor
Chemistry of Materials ( IF 7.2 ) Pub Date : 2019-08-26 , DOI: 10.1021/acs.chemmater.9b02085
Neha Mahuli , Debabrata Halder ₁ , Ankan Paul ₁ , Shaibal K Sarkar

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Atomic layer deposition (ALD) of antimony selenide (Sb₂Se₃) is demonstrated using selenium dimethyldithiocarbamate as a new chalcogen precursor with tris(dimethylamino) antimony as a metal source at 150 °C. The ALD chemistry with this organic-selenide precursor is explored as an alternative to highly toxic H₂Se. The mechanistic facets of the reactions facilitating the deposition are revealed through theoretical investigations using the density functional theory. The findings from the theoretical study are in good agreement with the experimental findings. The deposition mechanism during the nucleation and linear growth regime is studied thoroughly with an in situ quartz crystal microbalance illustrating a “substrate-enhanced growth” during the initial deposition cycles. The saturated growth rate of ∼0.28 Å per cycle is achieved. The as-grown material is then investigated as the photon-absorber layer in the sensitized solar cell application. The charge transfer processes are studied using surface photovoltage studies under monochromatic light and variable intensity white light using a vibrating Kelvin probe.

中文翻译：

使用二甲基二硫代氨基甲酸硒作为新的硒前体的Sb2Se3光吸收层的原子层沉积

在150°C下，使用二甲基二硫代氨基甲酸硒作为新型硫族元素前体，以三（二甲基氨基）锑为金属源，证明了硒化锑（Sb ₂ Se ₃）的原子层沉积（ALD）。探索了使用这种有机硒化物前体的ALD化学方法，以替代剧毒的H ₂硒通过使用密度泛函理论的理论研究揭示了促进沉积的反应机理。理论研究的结果与实验结果非常吻合。用原位石英晶体微量天平对成核和线性生长过程中的沉积机理进行了深入研究，显示了在初始沉积循环过程中“基质增强的生长”。每个循环达到约0.28Å的饱和生长速率。然后，将所生长的材料作为敏化太阳能电池应用中的光子吸收层进行研究。使用振动开尔文探针在单色光和可变强度白光下使用表面光电压研究来研究电荷转移过程。

更新日期：2019-08-27

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