Customizing a Coordinative Crab Molecule BCP-3N with Multifunctionality for High-Performance Inverted Perovskite Solar Cells,Solar RRL

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Customizing a Coordinative Crab Molecule BCP-3N with Multifunctionality for High-Performance Inverted Perovskite Solar Cells
Solar RRL ( IF 6.0 ) Pub Date : 2022-07-15 , DOI: 10.1002/solr.202200559
Gaopeng Wang ₁ , Rongguo Xu ₁ , Hong Zhu ₂ , Yu Li ₁ , Tongfa Liu ₁ , Zedong Lin _{1,

3} , Mingyu Hu ₁ , Zhou Xing ₁ , Jiali Gao _{2,

4,

5} , Shihe Yang _{1,

3}

Affiliation

Defects at the perovskite grain boundaries and the interfaces between perovskite and charge transport layers in perovskite solar cells (PSCs) are a curse of nonradiative recombination losses and device degradation channels. Herein, the custom design and synthesis of a multifunctional small molecule (N ²,N ⁹-bis(3-(dimethylamino)propyl)-4,7-diphenyl-1,10-phenanthroline-2,9-dicarboxamide (BCP-3N) featured by the π-conjugated phenanthroline and an array of lone-pair electron donor atoms from the carbonyl and amine groups are reported. The BCP-3N is used as a Lewis base to multidentate passivate the undercoordinated Pb²⁺ ions forming an ultrathin tunnel layer, in synergy with ethanol as a green antisolvent to simultaneously orient the growth of perovskite, resulting in a significantly reduced defect density in perovskite films. With BCP-3N, a significant increase in open-circuit voltage (V _oc = 1.12 V) is achieved of inverted (p–i–n structure) PSCs, along with a record power conversion efficiency of ≈21% among alcohol antisolvent processed cells. Also, attested are a much higher illumination and humidity stability of the BCP-3N-based device. Combined experimental and theoretical studies have uncovered the multifunctional roles of BCP-3N in stabilizing high-quality Cs–FA–MA triple-cation mixed perovskites under light, bias, and humidity stresses, enlightening the molecular design for PSCs.

中文翻译：

定制用于高性能倒置钙钛矿太阳能电池的多功能配位蟹分子 BCP-3N

钙钛矿晶界的缺陷以及钙钛矿太阳能电池（PSC）中钙钛矿和电荷传输层之间的界面是非辐射复合损失和器件退化通道的祸根。在此，定制设计和合成多功能小分子 ( N ² , N ⁹ -bis(3-(dimethylamino)propyl)-4,7-diphenyl-1,10-phenanthroline-2,9-dicarboxamide (BCP-3N) ) 以 π 共轭菲咯啉和来自羰基和胺基的孤对电子供体原子阵列为特征。BCP-3N 用作路易斯碱以多齿钝化配位不足的 Pb ²⁺离子形成超薄隧道层，与乙醇作为绿色抗溶剂协同作用，同时定向钙钛矿的生长，从而显着降低钙钛矿薄膜中的缺陷密度。使用 BCP-3N，倒置（p-i-n 结构）PSC 的开路电压（_{Voc = 1.12}V ）显着增加，在酒精抗溶剂处理的电池中功率转换效率约为 21% . 此外，基于 BCP-3N 的设备的光照和湿度稳定性也得到了证实。实验和理论研究相结合，揭示了 BCP-3N 在光、偏压和湿度胁迫下稳定高质量 Cs-FA-MA 三阳离子混合钙钛矿的多功能作用，启发了 PSC 的分子设计。

更新日期：2022-07-15

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