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

Author:

Li Chongwen1ORCID,Wang Xiaoming1,Bi Enbing1,Jiang Fangyuan2ORCID,Park So Min3ORCID,Li You1,Chen Lei1,Wang Zaiwei3ORCID,Zeng Lewei3,Chen Hao3ORCID,Liu Yanjiang3ORCID,Grice Corey R.14ORCID,Abudulimu Abasi1ORCID,Chung Jaehoon1,Xian Yeming1,Zhu Tao1ORCID,Lai Huagui5ORCID,Chen Bin36ORCID,Ellingson Randy J.1,Fu Fan5ORCID,Ginger David S.2ORCID,Song Zhaoning1ORCID,Sargent Edward H.367ORCID,Yan Yanfa1ORCID

Affiliation:

1. Department of Physics and Astronomy and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Toledo, OH 43606, USA.

2. Department of Chemistry, University of Washington, Seattle, WA 98195, USA.

3. The Edward S. Rogers Department of Electrical and Computer Engineering, University of Toronto, Toronto, ON M5S 3G4, Canada.

4. Center for Materials and Sensors Characterization, The University of Toledo, Toledo, OH 43606, USA.

5. Laboratory for Thin Films and Photovoltaics, Empa–Swiss Federal Laboratories for Materials Science and Technology, Dübendorf 8600, Switzerland.

6. Department of Chemistry, Northwestern University, Evanston, IL 60208, USA.

7. Department of Electrical and Computer Engineering, Northwestern University, Evanston, IL 60208, USA.

Abstract

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.

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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