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 Fu; David S. Ginger; Zhaoning Song; Edward H. Sargent; Yanfa Yan

doi:10.1126/science.ade3970

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

Chemistry

Research output: Contribution to journal › Article › peer-review

275 Scopus citations

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.

Original language	English (US)
Pages (from-to)	690-694
Number of pages	5
Journal	Science
Volume	379
Issue number	6633
DOIs	https://doi.org/10.1126/science.ade3970
State	Published - Feb 17 2023

ASJC Scopus subject areas

General

Access to Document

10.1126/science.ade3970

Cite this

Li, C., Wang, X., Bi, E., Jiang, F., Park, S. M., Li, Y., Chen, L., Wang, Z., Zeng, L., Chen, H., Liu, Y., Grice, C. R., Abudulimu, A., Chung, J., Xian, Y., Zhu, T., Lai, H., Chen, B., Ellingson, R. J., ... Yan, Y. (2023). Rational design of Lewis base molecules for stable and efficient inverted perovskite solar cells. Science, 379(6633), 690-694. https://doi.org/10.1126/science.ade3970

@article{c997938477ad4e5e94623b77a4caac28,

title = "Rational design of Lewis base molecules for stable and efficient inverted perovskite solar cells",

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.",

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

year = "2023",

month = feb,

day = "17",

doi = "10.1126/science.ade3970",

language = "English (US)",

volume = "379",

pages = "690--694",

journal = "Science",

issn = "0036-8075",

publisher = "American Association for the Advancement of Science",

number = "6633",

}

Li, C, Wang, X, Bi, E, Jiang, F, Park, SM, Li, Y, Chen, L, Wang, Z, Zeng, L, Chen, H, Liu, Y, Grice, CR, Abudulimu, A, Chung, J, Xian, Y, Zhu, T, Lai, H, Chen, B, Ellingson, RJ, Fu, F, Ginger, DS, Song, Z, Sargent, EH & Yan, Y 2023, 'Rational design of Lewis base molecules for stable and efficient inverted perovskite solar cells', Science, vol. 379, no. 6633, pp. 690-694. https://doi.org/10.1126/science.ade3970

TY - JOUR

T1 - Rational design of Lewis base molecules for stable and efficient inverted perovskite solar cells

AU - Li, Chongwen

AU - Wang, Xiaoming

AU - Bi, Enbing

AU - Jiang, Fangyuan

AU - Park, So Min

AU - Li, You

AU - Chen, Lei

AU - Wang, Zaiwei

AU - Zeng, Lewei

AU - Chen, Hao

AU - Liu, Yanjiang

AU - Grice, Corey R.

AU - Abudulimu, Abasi

AU - Chung, Jaehoon

AU - Xian, Yeming

AU - Zhu, Tao

AU - Lai, Huagui

AU - Chen, Bin

AU - Ellingson, Randy J.

AU - Fu, Fan

AU - Ginger, David S.

AU - Song, Zhaoning

AU - Sargent, Edward H.

AU - Yan, Yanfa

PY - 2023/2/17

Y1 - 2023/2/17

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85148250816&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85148250816&partnerID=8YFLogxK

U2 - 10.1126/science.ade3970

DO - 10.1126/science.ade3970

M3 - Article

C2 - 36795809

AN - SCOPUS:85148250816

SN - 0036-8075

VL - 379

SP - 690

EP - 694

JO - Science

JF - Science

IS - 6633

ER -

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

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this