Enhancing perovskite solar cell performance through dynamic hydrogen-mediated polarization of nitrogen and sulfur in phthalocyanine

Geping Qu; Ying Qiao; Jie Zeng; Siyuan Cai; Qian Chen; Deng Wang; Danish Khan; Limin Huang; Baomin Xu; Jiangzhao Chen; Tarek El-Assaad; Yang Gang Wang; Dominic V. McGrath; Zong Xiang Xu

doi:10.1016/j.nanoen.2023.108974

Enhancing perovskite solar cell performance through dynamic hydrogen-mediated polarization of nitrogen and sulfur in phthalocyanine

Geping Qu, Ying Qiao, Jie Zeng, Siyuan Cai, Qian Chen, Deng Wang, Danish Khan, Limin Huang, Baomin Xu, Jiangzhao Chen, Tarek El-Assaad, Yang Gang Wang, Dominic V. McGrath, Zong Xiang Xu

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

5 Scopus citations

Abstract

Perovskite defect passivation has been researched extensively as an essential technique to improve the efficiency and stability of perovskite solar cells (PSCs) and thus drive their future commercialization. Three phthalocyanines named NP-SC₆-ZnPc, NP-SC₆-CuPc, and NP-SC₆-H₂Pc were synthesized and use for PSCs passivation. Theoretical calculations and experimental verifications confirmed that NP-SC₆-H₂Pc had the best passivation effect on perovskites. The phthalocyanine ring's central hydrogen atoms are transferred dynamically from NP-SC₆-H₂Pc and interact with the formamidinium lead iodide (FAPbI₃) perovskite through nitrogen-hydrogen bonding, resulting in α-FAPbI₃ perovskite formation and increasing the sulfur/nitrogen (S/N) passivation capability. FAPbI₃-based PSCs treated with NP-SC₆-H₂Pc demonstrated the highest power conversion efficiency (PCE) of 24.03 % (certified PCE of 23.78 %) with excellent stability. This significant finding represents the first observation of dynamic transfer of the hydrogen atoms in phthalocyanine and provides a thorough investigation of the perovskite passivation mechanism.

Original language	English (US)
Article number	108974
Journal	Nano Energy
Volume	118
DOIs	https://doi.org/10.1016/j.nanoen.2023.108974
State	Published - Dec 15 2023
Externally published	Yes

Keywords

Defect passivation
Dynamic hydrogen
Metal-free phthalocyanine
Perovskite solar cell

ASJC Scopus subject areas

Renewable Energy, Sustainability and the Environment
General Materials Science
Electrical and Electronic Engineering

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Qu, G., Qiao, Y., Zeng, J., Cai, S., Chen, Q., Wang, D., Khan, D., Huang, L., Xu, B., Chen, J., El-Assaad, T., Wang, Y. G., McGrath, D. V., & Xu, Z. X. (2023). Enhancing perovskite solar cell performance through dynamic hydrogen-mediated polarization of nitrogen and sulfur in phthalocyanine. Nano Energy, 118, Article 108974. https://doi.org/10.1016/j.nanoen.2023.108974

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title = "Enhancing perovskite solar cell performance through dynamic hydrogen-mediated polarization of nitrogen and sulfur in phthalocyanine",

abstract = "Perovskite defect passivation has been researched extensively as an essential technique to improve the efficiency and stability of perovskite solar cells (PSCs) and thus drive their future commercialization. Three phthalocyanines named NP-SC6-ZnPc, NP-SC6-CuPc, and NP-SC6-H2Pc were synthesized and use for PSCs passivation. Theoretical calculations and experimental verifications confirmed that NP-SC6-H2Pc had the best passivation effect on perovskites. The phthalocyanine ring's central hydrogen atoms are transferred dynamically from NP-SC6-H2Pc and interact with the formamidinium lead iodide (FAPbI3) perovskite through nitrogen-hydrogen bonding, resulting in α-FAPbI3 perovskite formation and increasing the sulfur/nitrogen (S/N) passivation capability. FAPbI3-based PSCs treated with NP-SC6-H2Pc demonstrated the highest power conversion efficiency (PCE) of 24.03 % (certified PCE of 23.78 %) with excellent stability. This significant finding represents the first observation of dynamic transfer of the hydrogen atoms in phthalocyanine and provides a thorough investigation of the perovskite passivation mechanism.",

keywords = "Defect passivation, Dynamic hydrogen, Metal-free phthalocyanine, Perovskite solar cell",

author = "Geping Qu and Ying Qiao and Jie Zeng and Siyuan Cai and Qian Chen and Deng Wang and Danish Khan and Limin Huang and Baomin Xu and Jiangzhao Chen and Tarek El-Assaad and Wang, {Yang Gang} and McGrath, {Dominic V.} and Xu, {Zong Xiang}",

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year = "2023",

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day = "15",

doi = "10.1016/j.nanoen.2023.108974",

language = "English (US)",

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T1 - Enhancing perovskite solar cell performance through dynamic hydrogen-mediated polarization of nitrogen and sulfur in phthalocyanine

AU - Qu, Geping

AU - Qiao, Ying

AU - Zeng, Jie

AU - Cai, Siyuan

AU - Chen, Qian

AU - Wang, Deng

AU - Khan, Danish

AU - Huang, Limin

AU - Xu, Baomin

AU - Chen, Jiangzhao

AU - El-Assaad, Tarek

AU - Wang, Yang Gang

AU - McGrath, Dominic V.

AU - Xu, Zong Xiang

PY - 2023/12/15

Y1 - 2023/12/15

N2 - Perovskite defect passivation has been researched extensively as an essential technique to improve the efficiency and stability of perovskite solar cells (PSCs) and thus drive their future commercialization. Three phthalocyanines named NP-SC6-ZnPc, NP-SC6-CuPc, and NP-SC6-H2Pc were synthesized and use for PSCs passivation. Theoretical calculations and experimental verifications confirmed that NP-SC6-H2Pc had the best passivation effect on perovskites. The phthalocyanine ring's central hydrogen atoms are transferred dynamically from NP-SC6-H2Pc and interact with the formamidinium lead iodide (FAPbI3) perovskite through nitrogen-hydrogen bonding, resulting in α-FAPbI3 perovskite formation and increasing the sulfur/nitrogen (S/N) passivation capability. FAPbI3-based PSCs treated with NP-SC6-H2Pc demonstrated the highest power conversion efficiency (PCE) of 24.03 % (certified PCE of 23.78 %) with excellent stability. This significant finding represents the first observation of dynamic transfer of the hydrogen atoms in phthalocyanine and provides a thorough investigation of the perovskite passivation mechanism.

AB - Perovskite defect passivation has been researched extensively as an essential technique to improve the efficiency and stability of perovskite solar cells (PSCs) and thus drive their future commercialization. Three phthalocyanines named NP-SC6-ZnPc, NP-SC6-CuPc, and NP-SC6-H2Pc were synthesized and use for PSCs passivation. Theoretical calculations and experimental verifications confirmed that NP-SC6-H2Pc had the best passivation effect on perovskites. The phthalocyanine ring's central hydrogen atoms are transferred dynamically from NP-SC6-H2Pc and interact with the formamidinium lead iodide (FAPbI3) perovskite through nitrogen-hydrogen bonding, resulting in α-FAPbI3 perovskite formation and increasing the sulfur/nitrogen (S/N) passivation capability. FAPbI3-based PSCs treated with NP-SC6-H2Pc demonstrated the highest power conversion efficiency (PCE) of 24.03 % (certified PCE of 23.78 %) with excellent stability. This significant finding represents the first observation of dynamic transfer of the hydrogen atoms in phthalocyanine and provides a thorough investigation of the perovskite passivation mechanism.

KW - Defect passivation

KW - Dynamic hydrogen

KW - Metal-free phthalocyanine

KW - Perovskite solar cell

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ER -

Enhancing perovskite solar cell performance through dynamic hydrogen-mediated polarization of nitrogen and sulfur in phthalocyanine

Abstract

Keywords

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