Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells

Cheng Liu; Yi Yang; Hao Chen; Jian Xu; Ao Liu; Abdulaziz S.R. Bati; Huihui Zhu; Luke Grater; Shreyash Sudhakar Hadke; Chuying Huang; Vinod K. Sangwan; Tong Cai; Donghoon Shin; Lin X. Chen; Mark C. Hersam; Chad A. Mirkin; Bin Chen; Mercouri G. Kanatzidis; Edward H. Sargent

doi:10.1126/science.adk1633

Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells

Cheng Liu, Yi Yang, Hao Chen, Jian Xu, Ao Liu, Abdulaziz S.R. Bati, Huihui Zhu, Luke Grater, Shreyash Sudhakar Hadke, Chuying Huang, Vinod K. Sangwan, Tong Cai, Donghoon Shin, Lin X. Chen, Mark C. Hersam, Chad A. Mirkin, Bin Chen^*, Mercouri G. Kanatzidis^*, Edward H. Sargent^*

^*Corresponding author for this work

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

270 Scopus citations

Abstract

Compared with the n-i-p structure, inverted (p-i-n) perovskite solar cells (PSCs) promise increased operating stability, but these photovoltaic cells often exhibit lower power conversion efficiencies (PCEs) because of nonradiative recombination losses, particularly at the perovskite/C₆₀ interface. We passivated surface defects and enabled reflection of minority carriers from the interface into the bulk using two types of functional molecules. We used sulfur-modified methylthio molecules to passivate surface defects and suppress recombination through strong coordination and hydrogen bonding, along with diammonium molecules to repel minority carriers and reduce contact-induced interface recombination achieved through field-effect passivation. This approach led to a fivefold longer carrier lifetime and one-third the photoluminescence quantum yield loss and enabled a certified quasi-steady-state PCE of 25.1% for inverted PSCs with stable operation at 65°C for >2000 hours in ambient air. We also fabricated monolithic all-perovskite tandem solar cells with 28.1% PCE.

Original language	English (US)
Pages (from-to)	810-815
Number of pages	6
Journal	Science
Volume	382
Issue number	6672
DOIs	https://doi.org/10.1126/science.adk1633
State	Published - Nov 17 2023

Funding

Part of the research described in this paper was performed at the Canadian Light Source, a national research facility of the University of Saskatchewan, which is supported by the Canada Foundation for Innovation (CFI), the Natural Sciences and Engineering Research Council (NSERC), the National Research Council (NRC), the Canadian Institutes of Health Research (CIHR), the Government of Saskatchewan, and the University of Saskatchewan. A.S.R.B. acknowledges support from King Abdullah University of Science and Technology (KAUST) through the Ibn Rushd Postdoctoral Fellowship Award. This work was supported under award number OSR-CRG2020-4350.2. E.H.S. acknowledges support from the Office of Naval Research (ONR) grant N00014-20-1-2572). M.G.K. was supported by ONR grant N00014-20-1-2725. C.A.M. was supported by the Army Research Office under grants W911NF-23-1-0141 and W911NF-23-1-0285 and by the Sherman Fairchild Foundation, Inc. This work made use of the SPID, EPIC, and Keck-II facilities of Northwestern University’s NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633); the International Institute of Nanotechnology, Northwestern University; and Northwestern’s MRSEC program (NSF DMR-1720139). Charge transport characterization was supported by the National Science Foundation (NSF) Materials Research Science and Engineering Center (MRSEC) at Northwestern University under award number DMR-1720319. This work was partially supported by award 70NANB19H005 from the US Department of Commerce, National Institute of Standards and Technology, as part of the Center for Hierarchical Materials Design (CHiMaD).

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Liu, C., Yang, Y., Chen, H., Xu, J., Liu, A., Bati, A. S. R., Zhu, H., Grater, L., Hadke, S. S., Huang, C., Sangwan, V. K., Cai, T., Shin, D., Chen, L. X., Hersam, M. C., Mirkin, C. A., Chen, B., Kanatzidis, M. G., & Sargent, E. H. (2023). Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells. Science, 382(6672), 810-815. https://doi.org/10.1126/science.adk1633

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title = "Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells",

abstract = "Compared with the n-i-p structure, inverted (p-i-n) perovskite solar cells (PSCs) promise increased operating stability, but these photovoltaic cells often exhibit lower power conversion efficiencies (PCEs) because of nonradiative recombination losses, particularly at the perovskite/C60 interface. We passivated surface defects and enabled reflection of minority carriers from the interface into the bulk using two types of functional molecules. We used sulfur-modified methylthio molecules to passivate surface defects and suppress recombination through strong coordination and hydrogen bonding, along with diammonium molecules to repel minority carriers and reduce contact-induced interface recombination achieved through field-effect passivation. This approach led to a fivefold longer carrier lifetime and one-third the photoluminescence quantum yield loss and enabled a certified quasi-steady-state PCE of 25.1% for inverted PSCs with stable operation at 65°C for >2000 hours in ambient air. We also fabricated monolithic all-perovskite tandem solar cells with 28.1% PCE.",

author = "Cheng Liu and Yi Yang and Hao Chen and Jian Xu and Ao Liu and Bati, {Abdulaziz S.R.} and Huihui Zhu and Luke Grater and Hadke, {Shreyash Sudhakar} and Chuying Huang and Sangwan, {Vinod K.} and Tong Cai and Donghoon Shin and Chen, {Lin X.} and Hersam, {Mark C.} and Mirkin, {Chad A.} and Bin Chen and Kanatzidis, {Mercouri G.} and Sargent, {Edward H.}",

note = "Publisher Copyright: Copyright {\textcopyright} 2023 The Authors,",

year = "2023",

month = nov,

day = "17",

doi = "10.1126/science.adk1633",

language = "English (US)",

volume = "382",

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Liu, C, Yang, Y, Chen, H, Xu, J, Liu, A, Bati, ASR, Zhu, H, Grater, L, Hadke, SS, Huang, C, Sangwan, VK, Cai, T, Shin, D, Chen, LX, Hersam, MC , Mirkin, CA , Chen, B , Kanatzidis, MG & Sargent, EH 2023, 'Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells', Science, vol. 382, no. 6672, pp. 810-815. https://doi.org/10.1126/science.adk1633

TY - JOUR

T1 - Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells

AU - Liu, Cheng

AU - Yang, Yi

AU - Chen, Hao

AU - Xu, Jian

AU - Liu, Ao

AU - Bati, Abdulaziz S.R.

AU - Zhu, Huihui

AU - Grater, Luke

AU - Hadke, Shreyash Sudhakar

AU - Huang, Chuying

AU - Sangwan, Vinod K.

AU - Cai, Tong

AU - Shin, Donghoon

AU - Chen, Lin X.

AU - Hersam, Mark C.

AU - Mirkin, Chad A.

AU - Chen, Bin

AU - Kanatzidis, Mercouri G.

AU - Sargent, Edward H.

PY - 2023/11/17

Y1 - 2023/11/17

N2 - Compared with the n-i-p structure, inverted (p-i-n) perovskite solar cells (PSCs) promise increased operating stability, but these photovoltaic cells often exhibit lower power conversion efficiencies (PCEs) because of nonradiative recombination losses, particularly at the perovskite/C60 interface. We passivated surface defects and enabled reflection of minority carriers from the interface into the bulk using two types of functional molecules. We used sulfur-modified methylthio molecules to passivate surface defects and suppress recombination through strong coordination and hydrogen bonding, along with diammonium molecules to repel minority carriers and reduce contact-induced interface recombination achieved through field-effect passivation. This approach led to a fivefold longer carrier lifetime and one-third the photoluminescence quantum yield loss and enabled a certified quasi-steady-state PCE of 25.1% for inverted PSCs with stable operation at 65°C for >2000 hours in ambient air. We also fabricated monolithic all-perovskite tandem solar cells with 28.1% PCE.

AB - Compared with the n-i-p structure, inverted (p-i-n) perovskite solar cells (PSCs) promise increased operating stability, but these photovoltaic cells often exhibit lower power conversion efficiencies (PCEs) because of nonradiative recombination losses, particularly at the perovskite/C60 interface. We passivated surface defects and enabled reflection of minority carriers from the interface into the bulk using two types of functional molecules. We used sulfur-modified methylthio molecules to passivate surface defects and suppress recombination through strong coordination and hydrogen bonding, along with diammonium molecules to repel minority carriers and reduce contact-induced interface recombination achieved through field-effect passivation. This approach led to a fivefold longer carrier lifetime and one-third the photoluminescence quantum yield loss and enabled a certified quasi-steady-state PCE of 25.1% for inverted PSCs with stable operation at 65°C for >2000 hours in ambient air. We also fabricated monolithic all-perovskite tandem solar cells with 28.1% PCE.

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Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells

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