Discovery of temperature-induced stability reversal in perovskites using high-throughput robotic learning

Yicheng Zhao; Jiyun Zhang; Zhengwei Xu; Shijing Sun; Stefan Langner; Noor Titan Putri Hartono; Thomas Heumueller; Yi Hou; Jack Elia; Ning Li; Gebhard J. Matt; Xiaoyan Du; Wei Meng; Andres Osvet; Kaicheng Zhang; Tobias Stubhan; Yexin Feng; Jens Hauch; Edward H. Sargent; Tonio Buonassisi; Christoph J. Brabec

doi:10.1038/s41467-021-22472-x

Discovery of temperature-induced stability reversal in perovskites using high-throughput robotic learning

Yicheng Zhao^*, Jiyun Zhang, Zhengwei Xu, Shijing Sun, Stefan Langner, Noor Titan Putri Hartono, Thomas Heumueller, Yi Hou, Jack Elia, Ning Li, Gebhard J. Matt, Xiaoyan Du, Wei Meng, Andres Osvet, Kaicheng Zhang, Tobias Stubhan, Yexin Feng, Jens Hauch, Edward H. Sargent, Tonio BuonassisiChristoph J. Brabec

^*Corresponding author for this work

Chemistry

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

42 Scopus citations

Abstract

Stability of perovskite-based photovoltaics remains a topic requiring further attention. Cation engineering influences perovskite stability, with the present-day understanding of the impact of cations based on accelerated ageing tests at higher-than-operating temperatures (e.g. 140°C). By coupling high-throughput experimentation with machine learning, we discover a weak correlation between high/low-temperature stability with a stability-reversal behavior. At high ageing temperatures, increasing organic cation (e.g. methylammonium) or decreasing inorganic cation (e.g. cesium) in multi-cation perovskites has detrimental impact on photo/thermal-stability; but below 100°C, the impact is reversed. The underlying mechanism is revealed by calculating the kinetic activation energy in perovskite decomposition. We further identify that incorporating at least 10 mol.% MA and up to 5 mol.% Cs/Rb to maximize the device stability at device-operating temperature (<100°C). We close by demonstrating the methylammonium-containing perovskite solar cells showing negligible efficiency loss compared to its initial efficiency after 1800 hours of working under illumination at 30°C.

Original language	English (US)
Article number	2191
Journal	Nature communications
Volume	12
Issue number	1
DOIs	https://doi.org/10.1038/s41467-021-22472-x
State	Published - Dec 1 2021

ASJC Scopus subject areas

Chemistry(all)
Biochemistry, Genetics and Molecular Biology(all)
Physics and Astronomy(all)

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Zhao, Y., Zhang, J., Xu, Z., Sun, S., Langner, S., Hartono, N. T. P., Heumueller, T., Hou, Y., Elia, J., Li, N., Matt, G. J., Du, X., Meng, W., Osvet, A., Zhang, K., Stubhan, T., Feng, Y., Hauch, J., Sargent, E. H., ... Brabec, C. J. (2021). Discovery of temperature-induced stability reversal in perovskites using high-throughput robotic learning. Nature communications, 12(1), [2191]. https://doi.org/10.1038/s41467-021-22472-x

@article{e52dc51a9afc4963acf51eafcd79a839,

title = "Discovery of temperature-induced stability reversal in perovskites using high-throughput robotic learning",

abstract = "Stability of perovskite-based photovoltaics remains a topic requiring further attention. Cation engineering influences perovskite stability, with the present-day understanding of the impact of cations based on accelerated ageing tests at higher-than-operating temperatures (e.g. 140°C). By coupling high-throughput experimentation with machine learning, we discover a weak correlation between high/low-temperature stability with a stability-reversal behavior. At high ageing temperatures, increasing organic cation (e.g. methylammonium) or decreasing inorganic cation (e.g. cesium) in multi-cation perovskites has detrimental impact on photo/thermal-stability; but below 100°C, the impact is reversed. The underlying mechanism is revealed by calculating the kinetic activation energy in perovskite decomposition. We further identify that incorporating at least 10 mol.% MA and up to 5 mol.% Cs/Rb to maximize the device stability at device-operating temperature (<100°C). We close by demonstrating the methylammonium-containing perovskite solar cells showing negligible efficiency loss compared to its initial efficiency after 1800 hours of working under illumination at 30°C.",

author = "Yicheng Zhao and Jiyun Zhang and Zhengwei Xu and Shijing Sun and Stefan Langner and Hartono, {Noor Titan Putri} and Thomas Heumueller and Yi Hou and Jack Elia and Ning Li and Matt, {Gebhard J.} and Xiaoyan Du and Wei Meng and Andres Osvet and Kaicheng Zhang and Tobias Stubhan and Yexin Feng and Jens Hauch and Sargent, {Edward H.} and Tonio Buonassisi and Brabec, {Christoph J.}",

note = "Funding Information: Y.Z. acknowledges the Alexander von Humboldt Foundation for supporting his scientific research during the postdoctoral period (Grant number 1199604). Y.Z. thanks Yao Lu and Haifeng Yuan for the great support provided in editing the whole manuscript. The authors gratefully acknowledge the grants “ELF-PV - Design and Development of Solution-Processed Functional Materials for the Next Generations of PV Technologies” (no. 44-6521a/20/4) and “Solar Factory of the Future” (FKZ 20.2-3410.5-4-5) by the Bavarian State Government. C.J.B. gratefully acknowledges the financial support through the “Aufbruch Bayern” initiative of the state of Bavaria (EnCN and “Solar Factory of the Future”), the Bavarian Initiative “Solar Technologies go Hybrid” (SolTech), ITRG 2495 (DFG) and the SFB 953 (DFG). The authors acknowledge the financial support from the German Research Foundation with grant DFG INST 90/917-1 FUGG; Y.F. acknowledges the National Basic Research Programs of China (Grant No. 2016YFA0300900), and the NSFC with Grant No. 11974105, DFG INST 90/917-1 FUGG. J.Z., W.M., and K.Z. gratefully acknowledge support from the China Scholarship Council. Publisher Copyright: {\textcopyright} 2021, The Author(s).",

year = "2021",

month = dec,

day = "1",

doi = "10.1038/s41467-021-22472-x",

language = "English (US)",

volume = "12",

journal = "Nature Communications",

issn = "2041-1723",

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Zhao, Y, Zhang, J, Xu, Z, Sun, S, Langner, S, Hartono, NTP, Heumueller, T, Hou, Y, Elia, J, Li, N, Matt, GJ, Du, X, Meng, W, Osvet, A, Zhang, K, Stubhan, T, Feng, Y, Hauch, J, Sargent, EH, Buonassisi, T & Brabec, CJ 2021, 'Discovery of temperature-induced stability reversal in perovskites using high-throughput robotic learning', Nature communications, vol. 12, no. 1, 2191. https://doi.org/10.1038/s41467-021-22472-x

TY - JOUR

T1 - Discovery of temperature-induced stability reversal in perovskites using high-throughput robotic learning

AU - Zhao, Yicheng

AU - Zhang, Jiyun

AU - Xu, Zhengwei

AU - Sun, Shijing

AU - Langner, Stefan

AU - Hartono, Noor Titan Putri

AU - Heumueller, Thomas

AU - Hou, Yi

AU - Elia, Jack

AU - Li, Ning

AU - Matt, Gebhard J.

AU - Du, Xiaoyan

AU - Meng, Wei

AU - Osvet, Andres

AU - Zhang, Kaicheng

AU - Stubhan, Tobias

AU - Feng, Yexin

AU - Hauch, Jens

AU - Sargent, Edward H.

AU - Buonassisi, Tonio

AU - Brabec, Christoph J.

N1 - Funding Information: Y.Z. acknowledges the Alexander von Humboldt Foundation for supporting his scientific research during the postdoctoral period (Grant number 1199604). Y.Z. thanks Yao Lu and Haifeng Yuan for the great support provided in editing the whole manuscript. The authors gratefully acknowledge the grants “ELF-PV - Design and Development of Solution-Processed Functional Materials for the Next Generations of PV Technologies” (no. 44-6521a/20/4) and “Solar Factory of the Future” (FKZ 20.2-3410.5-4-5) by the Bavarian State Government. C.J.B. gratefully acknowledges the financial support through the “Aufbruch Bayern” initiative of the state of Bavaria (EnCN and “Solar Factory of the Future”), the Bavarian Initiative “Solar Technologies go Hybrid” (SolTech), ITRG 2495 (DFG) and the SFB 953 (DFG). The authors acknowledge the financial support from the German Research Foundation with grant DFG INST 90/917-1 FUGG; Y.F. acknowledges the National Basic Research Programs of China (Grant No. 2016YFA0300900), and the NSFC with Grant No. 11974105, DFG INST 90/917-1 FUGG. J.Z., W.M., and K.Z. gratefully acknowledge support from the China Scholarship Council. Publisher Copyright: © 2021, The Author(s).

PY - 2021/12/1

Y1 - 2021/12/1

N2 - Stability of perovskite-based photovoltaics remains a topic requiring further attention. Cation engineering influences perovskite stability, with the present-day understanding of the impact of cations based on accelerated ageing tests at higher-than-operating temperatures (e.g. 140°C). By coupling high-throughput experimentation with machine learning, we discover a weak correlation between high/low-temperature stability with a stability-reversal behavior. At high ageing temperatures, increasing organic cation (e.g. methylammonium) or decreasing inorganic cation (e.g. cesium) in multi-cation perovskites has detrimental impact on photo/thermal-stability; but below 100°C, the impact is reversed. The underlying mechanism is revealed by calculating the kinetic activation energy in perovskite decomposition. We further identify that incorporating at least 10 mol.% MA and up to 5 mol.% Cs/Rb to maximize the device stability at device-operating temperature (<100°C). We close by demonstrating the methylammonium-containing perovskite solar cells showing negligible efficiency loss compared to its initial efficiency after 1800 hours of working under illumination at 30°C.

AB - Stability of perovskite-based photovoltaics remains a topic requiring further attention. Cation engineering influences perovskite stability, with the present-day understanding of the impact of cations based on accelerated ageing tests at higher-than-operating temperatures (e.g. 140°C). By coupling high-throughput experimentation with machine learning, we discover a weak correlation between high/low-temperature stability with a stability-reversal behavior. At high ageing temperatures, increasing organic cation (e.g. methylammonium) or decreasing inorganic cation (e.g. cesium) in multi-cation perovskites has detrimental impact on photo/thermal-stability; but below 100°C, the impact is reversed. The underlying mechanism is revealed by calculating the kinetic activation energy in perovskite decomposition. We further identify that incorporating at least 10 mol.% MA and up to 5 mol.% Cs/Rb to maximize the device stability at device-operating temperature (<100°C). We close by demonstrating the methylammonium-containing perovskite solar cells showing negligible efficiency loss compared to its initial efficiency after 1800 hours of working under illumination at 30°C.

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DO - 10.1038/s41467-021-22472-x

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JO - Nature Communications

JF - Nature Communications

IS - 1

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ER -

Discovery of temperature-induced stability reversal in perovskites using high-throughput robotic learning

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