Pyrenesulfonic Acid Sodium Salt for Effective Bottom-Surface Passivation to Attain High Performance of Perovskite Solar Cells,Solar RRL

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Pyrenesulfonic Acid Sodium Salt for Effective Bottom-Surface Passivation to Attain High Performance of Perovskite Solar Cells
Solar RRL ( IF 6.0 ) Pub Date : 2021-08-17 , DOI: 10.1002/solr.202100416
Lili Gao _{1,

2,

3,

4,

5} , Hang Su _{1,

2,

3,

4,

5} , Zhuo Xu _{1,

2,

3,

4,

5} , Yingjie Hu _{1,

2,

3,

4,

5} , Jing Zhang _{1,

2,

3,

4,

5} , Shengzhong (Frank) Liu _{1,

2,

3,

4,

5}

Affiliation

In perovskite solar cells, not only defects on the top perovskite film surface seriously affect device performance, those buried in the bottom perovskite–electron-transfer layer (ETL) interface damage carrier extraction, transport, and device efficiency as well. Herein, a novel double-sided passivation strategy is designed using a single π-conjugation-induced 1-pyrenesulfonic acid sodium salt (PyNa⁺). It is found that it effectively passivates top and bottom interface defects to render high device performance. The π-conjugated pyrene-containing sodium salt electronically contributes to the surface band edges and influences the carrier dynamics by passivating defects at both top hole-transfer layer (HTL)–perovskite and bottom perovskite–ETL interfaces. The density functional theory (DFT) calculation confirms that the Pb cluster and I—Pb antisite defects can be effectively passivated by the O···Pb coordination and electrostatic interaction of PyNa⁺. The carrier lifetimes are prolonged, the interface defect density is effectively reduced as measured by space-charge-limited current (SCLC). Through the double layer passivation of PyNa⁺, the device delivers improved power conversion efficiencies of 21.22% relative to that of a reference perovskite, and enhanced stability with 85% of original efficiency after 1440 h in atmospheric environment. Double-sided passivation provides a comprehensive strategy for high-performance perovskite solar cells.

中文翻译：

芘磺酸钠盐用于有效的底面钝化以实现钙钛矿太阳能电池的高性能

在钙钛矿太阳能电池中，不仅顶部钙钛矿薄膜表面的缺陷严重影响器件性能，埋在底部钙钛矿-电子转移层（ETL）界面的缺陷也会损害载流子提取、传输和器件效率。在此，使用单一 π 共轭诱导的 1-芘磺酸钠盐 (PyNa ⁺）。发现它有效地钝化顶部和底部界面缺陷以呈现高器件性能。含π共轭芘的钠盐通过钝化顶部空穴传输层（HTL）-钙钛矿和底部钙钛矿-ETL界面的缺陷，对表面带边缘有电子贡献并影响载流子动力学。密度泛函理论(DFT)计算证实Pb簇和I-Pb反位缺陷可以被PyNa ⁺的O…Pb配位和静电相互作用有效钝化。通过空间电荷限制电流（SCLC）测量，载流子寿命延长，界面缺陷密度有效降低。通过 PyNa ⁺的双层钝化，该器件相对于参考钙钛矿的功率转换效率提高了 21.22%，并且在大气环境中 1440 小时后稳定性提高了原始效率的 85%。双面钝化为高性能钙钛矿太阳能电池提供了综合策略。

更新日期：2021-10-06

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