Achieving Precise Control of Defect States and Residual Strain in Perovskite Solar Cells Using π-Conjugated Dual-Anchor Molecules

IF 8.7 1区化学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

ACS Materials Letters Pub Date : 2024-06-27 DOI:10.1021/acsmaterialslett.4c0087410.1021/acsmaterialslett.4c00874

Zhe Xin, Yuanyuan Zhao*, Liqiang Bian, Yusheng Cao, Jialong Duan, Qiyao Guo, Jie Dou, Qiang Zhang and Qunwei Tang*,

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Abstract

Cesium lead bromide (CsPbBr₃) shows promise for high-stability perovskite solar cells (PSCs), but interface defects and residual tensile strain at the top interface limit the achievement of high efficiency and long-term stability. Here, we introduce meta-aminobenzoic acid (MABA) and para-aminobenzoic acid (PABA), π-conjugated molecules with delocalized π-electron systems. The π-conjugation enables stronger coordination between the additives and the perovskite top interface. This effectively passivates defects from uncoordinated Pb²⁺ ions, Cs⁺ ions, and Br^– vacancies. Additionally, strain relaxation is enabled by the dual-anchoring geometry of the molecules. Together, defect passivation and strain relaxation enhance the efficiency and stability of PSCs. Finally, we achieved champion efficiencies of 11.02% for a CsPbBr₃ PSC, 14.67% for a CsPbI₂Br PSC, and 23.66% for a FA_0.97Cs_0.03PbI₃ PSC. Long-term stability tests revealed improved humidity and heat stability, confirming the benefits of addressing both interface defects and residual strain.

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利用π-共轭双锚定分子精确控制过氧化物太阳能电池中的缺陷态和残余应变

溴化铯铅（CsPbBr3）有望成为高稳定性的过氧化物太阳能电池（PSC），但界面缺陷和顶部界面的残余拉伸应变限制了其实现高效率和长期稳定性。在此，我们介绍了偏氨基苯甲酸（MABA）和对氨基苯甲酸（PABA），它们是具有脱局域π电子系统的π共轭分子。π共轭使添加剂与包晶顶部界面之间的配位更强。这有效地钝化了未配位的 Pb2+ 离子、Cs+ 离子和 Br- 空位造成的缺陷。此外，分子的双锚定几何形状还能实现应变松弛。缺陷钝化和应变松弛共同提高了 PSC 的效率和稳定性。最后，我们实现了 CsPbBr3 PSC 11.02% 的冠军效率、CsPbI2Br PSC 14.67% 的冠军效率和 FA0.97Cs0.03PbI3 PSC 23.66% 的冠军效率。长期稳定性测试表明，湿度和热稳定性均有所提高，这证实了解决界面缺陷和残余应变问题的益处。

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来源期刊

ACS Materials Letters MATERIALS SCIENCE, MULTIDISCIPLINARY-

CiteScore

14.60

自引率

3.50%

发文量

261

期刊介绍： ACS Materials Letters is a journal that publishes high-quality and urgent papers at the forefront of fundamental and applied research in the field of materials science. It aims to bridge the gap between materials and other disciplines such as chemistry, engineering, and biology. The journal encourages multidisciplinary and innovative research that addresses global challenges. Papers submitted to ACS Materials Letters should clearly demonstrate the need for rapid disclosure of key results. The journal is interested in various areas including the design, synthesis, characterization, and evaluation of emerging materials, understanding the relationships between structure, property, and performance, as well as developing materials for applications in energy, environment, biomedical, electronics, and catalysis. The journal has a 2-year impact factor of 11.4 and is dedicated to publishing transformative materials research with fast processing times. The editors and staff of ACS Materials Letters actively participate in major scientific conferences and engage closely with readers and authors. The journal also maintains an active presence on social media to provide authors with greater visibility.