Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells

Haibing Xie; Zaiwei Wang; Zehua Chen; Carlos Pereyra; Mike Pols; Krzysztof Gałkowski; Miguel Anaya; Shuai Fu; Xiaoyu Jia; Pengyi Tang; Dominik Józef Kubicki; Anand Agarwalla; Hui Seon Kim; Daniel Prochowicz; Xavier Borrisé; Mischa Bonn; Chunxiong Bao; Xiaoxiao Sun; Shaik Mohammed Zakeeruddin; Lyndon Emsley; Jordi Arbiol; Feng Gao; Fan Fu; Hai I. Wang; Klaas Jan Tielrooij; Samuel D. Stranks; Shuxia Tao; Michael Grätzel; Anders Hagfeldt; Monica Lira-Cantu

doi:10.1016/j.joule.2021.04.003

Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells

Haibing Xie, Zaiwei Wang, Zehua Chen, Carlos Pereyra, Mike Pols, Krzysztof Gałkowski, Miguel Anaya, Shuai Fu, Xiaoyu Jia, Pengyi Tang, Dominik Józef Kubicki, Anand Agarwalla, Hui Seon Kim, Daniel Prochowicz, Xavier Borrisé, Mischa Bonn, Chunxiong Bao, Xiaoxiao Sun, Shaik Mohammed Zakeeruddin, Lyndon EmsleyJordi Arbiol, Feng Gao, Fan Fu, Hai I. Wang, Klaas Jan Tielrooij, Samuel D. Stranks, Shuxia Tao, Michael Grätzel, Anders Hagfeldt (Corresponding author), Monica Lira-Cantu (Corresponding author)

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

124 Citations (Scopus)

Abstract

Understanding defects is of paramount importance for the development of stable halide perovskite solar cells (PSCs). However, isolating their distinctive effects on device efficiency and stability is currently a challenge. We report that adding the organic molecule 3-phosphonopropionic acid (H3pp) to the halide perovskite results in unchanged overall optoelectronic performance while having a tremendous effect on device stability. We obtained PSCs with ∼21% efficiency that retain ∼100% of the initial efficiency after 1,000 h at the maximum power point under simulated AM1.5G illumination. The strong interaction between the perovskite and the H3pp molecule through two types of hydrogen bonds (H^…I and O^…H) leads to shallow point defect passivation that has a significant effect on device stability but not on the non-radiative recombination and device efficiency. We expect that our work will have important implications for the current understanding and advancement of operational PSCs.

Original language	English
Pages (from-to)	1246-1266
Number of pages	21
Journal	Joule
Volume	5
Issue number	5
DOIs	https://doi.org/10.1016/j.joule.2021.04.003
Publication status	Published - 19 May 2021

Funding

We thank the Spanish MINECO through the Severo Ochoa Centers of Excellence Program under grant no. SEV-2017-0706 for the postdoctoral contract to H.X. We thank the King Abdulaziz City for Science and Technology (KACST) for the financial support to M.G. and S.M.Z. A.H. is thankful for the financial support from the European Union H2020 , ESPResSo project grant agreement 764047 , and Swiss National Science Foundation project IZLCZ2_170177 . Z.W. and S.F. are thankful for the “China Scholarship Council” fellowship (CSC). H.-S.K., M.G., and S.M.Z. are thankful for the financial support from the GRAPHENE Flagship Core 2 project supported by the European Commission H2020 Programme under contract 785219 . P.T. and J.A. acknowledge funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project ANAPHASE ( ENE2017-85087-C3 ). D.J.K. and L.E. acknowledge support from the Swiss National Science Foundation grant no. 200021_160112 . S.T. acknowledges funding from the Computational Sciences for Energy Research tenure track programme of Shell, NWO , and FOM (project no. 15CST04-2 ), the Netherlands. S.D.S. and M.A. acknowledge funding from the Marie Skłodowska-Curie actions (grant agreement no. 841386 ) under the European Union’s Horizon 2020 research and innovation programme. S.D.S acknowledges support from the Royal Society and Tata Group ( UF150033 ) and EPSRC ( EP/R023980/1 ). X.S. and F.F. acknowledge the funding from the Swiss Federal Office of Energy (SFOE)-BFE (project no. SI/501805-01 ). K.G. appreciates support from the Polish Ministry of Science and Higher Education within the Mobilnosc Plus program (grant no. 1603/MOB/V/2017/0 ). K.J.T. acknowledges funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement no. 804349 (ERC StG Cuhl) and RyC fellowship no. RYC-2017-22330. We give thanks to the Spanish State Research Agency for the grant Self-Power ( PID2019-104272RB-C54 / AEI / 10.13039/501100011033) and the OrgEnergy Excelence Network ( CTQ2016-81911-REDT ), and to the Agència de Gestiód'Ajuts Universitaris i de Recerca (AGAUR) for the support to the consolidated Catalonia research group 2017 SGR 329 and the Xarxa d’R+D+I Energy for Society ( XRE4S ). Part of this work is under Materials Science Ph.D. Degree for A.M. and P.T. and the Chemistry Ph.D. programme for C.P. of the Universitat Autonoma de Barcelona (UAB, Spain). We thank CONACYT for the scholarship to C.P. We acknowledge Libertad Sole and also the Clean-Room from IMB-CNM for FIB process. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (grant no. SEV-2017-0706 ) and is funded by the CERCA Programme/Generalitat de Catalunya.

Funders	Funder number
Shell
European Union's Horizon 2020 - Research and Innovation Framework Programme	804349, 764047, 785219
Marie Skłodowska‐Curie	841386
Engineering and Physical Sciences Research Council	EP/R023980/1
H2020 European Research Council	RYC-2017-22330
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung	IZLCZ2_170177
Stichting voor Fundamenteel Onderzoek der Materie	15CST04-2
Nederlandse Organisatie voor Wetenschappelijk Onderzoek
Ministerio de Economía y Competitividad	SEV-2017-0706
China Scholarship Council
King Abdulaziz City for Science and Technology
European Union's Horizon 2020 - Research and Innovation Framework Programme
Agencia Estatal de Investigación	CTQ2016-81911-REDT, PID2019-104272RB-C54 / AEI / 10.13039/501100011033
Autonomous University of Barcelona

Keywords

additive engineering
deep point defects
defect passivation
performance
perovskite solar cells
phosphonates
shallow point defects
stability

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Xie, H., Wang, Z., Chen, Z., Pereyra, C., Pols, M., Gałkowski, K., Anaya, M., Fu, S., Jia, X., Tang, P., Kubicki, D. J., Agarwalla, A., Kim, H. S., Prochowicz, D., Borrisé, X., Bonn, M., Bao, C., Sun, X., Zakeeruddin, S. M., ... Lira-Cantu, M. (2021). Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells. Joule, 5(5), 1246-1266. https://doi.org/10.1016/j.joule.2021.04.003

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abstract = "Understanding defects is of paramount importance for the development of stable halide perovskite solar cells (PSCs). However, isolating their distinctive effects on device efficiency and stability is currently a challenge. We report that adding the organic molecule 3-phosphonopropionic acid (H3pp) to the halide perovskite results in unchanged overall optoelectronic performance while having a tremendous effect on device stability. We obtained PSCs with ∼21% efficiency that retain ∼100% of the initial efficiency after 1,000 h at the maximum power point under simulated AM1.5G illumination. The strong interaction between the perovskite and the H3pp molecule through two types of hydrogen bonds (H…I and O…H) leads to shallow point defect passivation that has a significant effect on device stability but not on the non-radiative recombination and device efficiency. We expect that our work will have important implications for the current understanding and advancement of operational PSCs.",

keywords = "additive engineering, deep point defects, defect passivation, performance, perovskite solar cells, phosphonates, shallow point defects, stability",

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Xie, H, Wang, Z, Chen, Z, Pereyra, C, Pols, M, Gałkowski, K, Anaya, M, Fu, S, Jia, X, Tang, P, Kubicki, DJ, Agarwalla, A, Kim, HS, Prochowicz, D, Borrisé, X, Bonn, M, Bao, C, Sun, X, Zakeeruddin, SM, Emsley, L, Arbiol, J, Gao, F, Fu, F, Wang, HI, Tielrooij, KJ, Stranks, SD, Tao, S, Grätzel, M, Hagfeldt, A & Lira-Cantu, M 2021, 'Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells', Joule, vol. 5, no. 5, pp. 1246-1266. https://doi.org/10.1016/j.joule.2021.04.003

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T1 - Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells

AU - Xie, Haibing

AU - Wang, Zaiwei

AU - Chen, Zehua

AU - Pereyra, Carlos

AU - Pols, Mike

AU - Gałkowski, Krzysztof

AU - Anaya, Miguel

AU - Fu, Shuai

AU - Jia, Xiaoyu

AU - Tang, Pengyi

AU - Kubicki, Dominik Józef

AU - Agarwalla, Anand

AU - Kim, Hui Seon

AU - Prochowicz, Daniel

AU - Borrisé, Xavier

AU - Bonn, Mischa

AU - Bao, Chunxiong

AU - Sun, Xiaoxiao

AU - Zakeeruddin, Shaik Mohammed

AU - Emsley, Lyndon

AU - Arbiol, Jordi

AU - Gao, Feng

AU - Fu, Fan

AU - Wang, Hai I.

AU - Tielrooij, Klaas Jan

AU - Stranks, Samuel D.

AU - Tao, Shuxia

AU - Grätzel, Michael

AU - Hagfeldt, Anders

AU - Lira-Cantu, Monica

PY - 2021/5/19

Y1 - 2021/5/19

N2 - Understanding defects is of paramount importance for the development of stable halide perovskite solar cells (PSCs). However, isolating their distinctive effects on device efficiency and stability is currently a challenge. We report that adding the organic molecule 3-phosphonopropionic acid (H3pp) to the halide perovskite results in unchanged overall optoelectronic performance while having a tremendous effect on device stability. We obtained PSCs with ∼21% efficiency that retain ∼100% of the initial efficiency after 1,000 h at the maximum power point under simulated AM1.5G illumination. The strong interaction between the perovskite and the H3pp molecule through two types of hydrogen bonds (H…I and O…H) leads to shallow point defect passivation that has a significant effect on device stability but not on the non-radiative recombination and device efficiency. We expect that our work will have important implications for the current understanding and advancement of operational PSCs.

AB - Understanding defects is of paramount importance for the development of stable halide perovskite solar cells (PSCs). However, isolating their distinctive effects on device efficiency and stability is currently a challenge. We report that adding the organic molecule 3-phosphonopropionic acid (H3pp) to the halide perovskite results in unchanged overall optoelectronic performance while having a tremendous effect on device stability. We obtained PSCs with ∼21% efficiency that retain ∼100% of the initial efficiency after 1,000 h at the maximum power point under simulated AM1.5G illumination. The strong interaction between the perovskite and the H3pp molecule through two types of hydrogen bonds (H…I and O…H) leads to shallow point defect passivation that has a significant effect on device stability but not on the non-radiative recombination and device efficiency. We expect that our work will have important implications for the current understanding and advancement of operational PSCs.

KW - additive engineering

KW - deep point defects

KW - defect passivation

KW - performance

KW - perovskite solar cells

KW - phosphonates

KW - shallow point defects

KW - stability

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DO - 10.1016/j.joule.2021.04.003

M3 - Article

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SN - 2542-4785

VL - 5

SP - 1246

EP - 1266

JO - Joule

JF - Joule

IS - 5

ER -

Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells

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