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Unveiling the ambipolar carrier transport property of SnO2−Xfor multiple-functional interlayers in perovskite solar cells
Applied Physics Letters ( IF 3.5 ) Pub Date : 2021-09-20 , DOI: 10.1063/5.0066843
Zhenyi Ni 1 , Zhenhua Yu 1 , Jinsong Huang 1
Affiliation  

Tin oxides are the most promising electron transport layers in perovskite solar cells. An ambipolar carrier transport property has been recently demonstrated which enables a simple interconnection structure for all-perovskite tandem solar cells. However, the underlying mechanism for its ambipolar behavior is unclear, which cannot be explained by the intrinsic defects in SnO2−x. Here, by using density functional theory calculations, we unveil the origin of the ambipolar carrier transport of non-stoichiometry SnO2−x with a structure of SnO embedded in the SnO2 matrix. The hybridization of O 2p and Sn 5s orbitals of SnO introduces mid-gap states in the bandgap of SnO2, enabling hole transport property for SnO2−x when x is > 0.2. Increasing the percentage of SnO in SnO2−x significantly enhances the hole transport capability of SnO2−x due to the enlarged Sn–O–Sn angles that increase orbital overlapping between O and Sn atoms, thus providing strategies for the further tuning of the carrier transport properties of SnO2−x by compositional and structural designs.

中文翻译:

揭示用于钙钛矿太阳能电池多功能中间层的 SnO2-X 的双极性载流子传输特性

氧化锡是钙钛矿太阳能电池中最有前途的电子传输层。最近已经证明了双极载流子传输特性,这使得全钙钛矿串联太阳能电池具有简单的互连结构。然而,其双极性行为的潜在机制尚不清楚,这无法用 SnO 2-x 中的固有缺陷来解释。在这里,通过使用密度泛函理论计算,我们揭示了具有嵌入 SnO 2基质中的 SnO 结构的非化学计量 SnO 2-x的双极载流子传输的起源。SnO 的 O 2p 和 Sn 5s 轨道的杂化在 SnO 2的带隙中引入了中带隙态,从而实现了 SnO 2-x 的空穴传输特性当 x > 0.2 时。增加SnO的百分比以SnO 2-X显著增强SnO的空穴传输能力2-X由于扩大的SnO-Sn系角O和Sn的原子之间的增加轨道重叠,从而为的所述另一调谐提供策略SnO 2-x的载流子传输特性通过成分和结构设计。
更新日期:2021-09-24
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