Rational design of Lewis base molecules for stable and efficient inverted perovskite solar cells

Chongwen Li, Xiaoming Wang, Enbing Bi, Fangyuan Jiang, So Min Park, You Li, Lei Chen, Zaiwei Wang, Lewei Zeng, Hao Chen, Yanjiang Liu, Corey R. Grice, Abasi Abudulimu, Jaehoon Chung, Yeming Xian, Tao Zhu, Huagui Lai, Bin Chen, Randy J. Ellingson, Fan FuDavid S. Ginger, Zhaoning Song, Edward H. Sargent, Yanfa Yan*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

38 Scopus citations


Lewis base molecules that bind undercoordinated lead atoms at interfaces and grain boundaries (GBs) are known to enhance the durability of metal halide perovskite solar cells (PSCs). Using density functional theory calculations, we found that phosphine-containing molecules have the strongest binding energy among members of a library of Lewis base molecules studied herein. Experimentally, we found that the best inverted PSC treated with 1, 3-bis(diphenylphosphino)propane (DPPP), a diphosphine Lewis base that passivates, binds, and bridges interfaces and GBs, retained a power conversion efficiency (PCE) slightly higher than its initial PCE of ~23% after continuous operation under simulated AM1.5 illumination at the maximum power point and at ~40°C for >3500 hours. DPPP-treated devices showed a similar increase in PCE after being kept under open-circuit conditions at 85°C for >1500 hours.

Original languageEnglish (US)
Pages (from-to)690-694
Number of pages5
Issue number6633
StatePublished - Feb 17 2023

ASJC Scopus subject areas

  • General


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