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

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

doi:10.1126/science.ade3970

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

Journal Article · Thu Feb 16 00:00:00 EST 2023 · Science

DOI:https://doi.org/10.1126/science.ade3970· OSTI ID:1959189

^[1]; Wang, Xiaoming ^[2]; Bi, Enbing ^[2]; ^[3]; ^[2]; Li, You ^[2]; Chen, Lei ^[2]; ^[4]; Zeng, Lewei ^[4]; ^[4]; ^[4]; ^[2]; ^[2]; Chung, Jaehoon ^[2]; Xian, Yeming ^[2]; ^[2]; ^[5]; ^[6]; Ellingson, Randy J. ^[2]; ^[5] more »

Univ. of Toledo, OH (United States); University of Toledo
Univ. of Toledo, OH (United States)
Univ. of Washington, Seattle, WA (United States)
Univ. of Toronto, ON (Canada)
Empa–Swiss Federal Laboratories for Materials Science and Technology, Dübendorf (Switzerland)
Univ. of Toronto, ON (Canada); Northwestern Univ., Evanston, IL (United States)

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.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Toledo, OH (United States)

Sponsoring Organization:: US Department of the Navy, Office of Naval Research; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC02-05CH11231; EE0008753; EE0008970

OSTI ID:: 1959189

Journal Information:: Science, Journal Name: Science Journal Issue: 6633 Vol. 379; ISSN 0036-8075

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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