Water-Regulated Lead Halide Perovskites Precursor Solution: Perovskite Structure Making and Breaking.

Shouwei Zuo; Wenchao Niu; Shengqi Chu; Pengfei An; Huan Huang; Lirong Zheng; Lina Zhao; Jing Zhang

doi:10.1021/acs.jpclett.3c00683

Water-Regulated Lead Halide Perovskites Precursor Solution: Perovskite Structure Making and Breaking.

Shouwei Zuo, Wenchao Niu, Shengqi Chu, Pengfei An, Huan Huang, Lirong Zheng, Lina Zhao, Jing Zhang

Physical Sciences and Engineering

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

8 Scopus citations

Abstract

Identifying the impact of water on iodoplumbate complexes in various solutions is essential for linking the coordination environment of the perovskite precursor to its final perovskite solar cell (PSC) properties. In this study, we propose a digital twin approach based on X-ray absorption fine structure and molecular dynamic simulation to investigate the structure evolution of iodoplumbate complexes in precursor solutions as a function of storage time under a constant humidity environment. A full picture about what water does in the perovskite formation process is brought out, and the "making and breaking" role of water molecules is uncovered to link the structure of iodoplumbate complexes to its final properties. This study sheds light on a full picture about what water does in the perovskite formation process and the role of water, which will lead to developing water-involved strategies for consistent PSC fabrication under ambient conditions.

Original language	English (US)
Pages (from-to)	4876-4885
Number of pages	10
Journal	The Journal of Physical Chemistry Letters
DOIs	https://doi.org/10.1021/acs.jpclett.3c00683
State	Published - May 17 2023

Bibliographical note

KAUST Repository Item: Exported on 2023-05-22
Acknowledgements: This work was supported by the National Key Research and Development Program of China (2021YFA1200904 and 2020YFA0710700), the National Natural Science Foundation of China (U1932201, U2032202, 31971311, 21727817), and the Innovation Program for IHEP (E25455U210).

ASJC Scopus subject areas

General Materials Science

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10.1021/acs.jpclett.3c00683

Cite this

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title = "Water-Regulated Lead Halide Perovskites Precursor Solution: Perovskite Structure Making and Breaking.",

abstract = "Identifying the impact of water on iodoplumbate complexes in various solutions is essential for linking the coordination environment of the perovskite precursor to its final perovskite solar cell (PSC) properties. In this study, we propose a digital twin approach based on X-ray absorption fine structure and molecular dynamic simulation to investigate the structure evolution of iodoplumbate complexes in precursor solutions as a function of storage time under a constant humidity environment. A full picture about what water does in the perovskite formation process is brought out, and the {"}making and breaking{"} role of water molecules is uncovered to link the structure of iodoplumbate complexes to its final properties. This study sheds light on a full picture about what water does in the perovskite formation process and the role of water, which will lead to developing water-involved strategies for consistent PSC fabrication under ambient conditions.",

author = "Shouwei Zuo and Wenchao Niu and Shengqi Chu and Pengfei An and Huan Huang and Lirong Zheng and Lina Zhao and Jing Zhang",

note = "KAUST Repository Item: Exported on 2023-05-22 Acknowledgements: This work was supported by the National Key Research and Development Program of China (2021YFA1200904 and 2020YFA0710700), the National Natural Science Foundation of China (U1932201, U2032202, 31971311, 21727817), and the Innovation Program for IHEP (E25455U210).",

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doi = "10.1021/acs.jpclett.3c00683",

language = "English (US)",

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AU - Zuo, Shouwei

AU - Niu, Wenchao

AU - Chu, Shengqi

AU - An, Pengfei

AU - Huang, Huan

AU - Zheng, Lirong

AU - Zhao, Lina

AU - Zhang, Jing

N1 - KAUST Repository Item: Exported on 2023-05-22 Acknowledgements: This work was supported by the National Key Research and Development Program of China (2021YFA1200904 and 2020YFA0710700), the National Natural Science Foundation of China (U1932201, U2032202, 31971311, 21727817), and the Innovation Program for IHEP (E25455U210).

PY - 2023/5/17

Y1 - 2023/5/17

N2 - Identifying the impact of water on iodoplumbate complexes in various solutions is essential for linking the coordination environment of the perovskite precursor to its final perovskite solar cell (PSC) properties. In this study, we propose a digital twin approach based on X-ray absorption fine structure and molecular dynamic simulation to investigate the structure evolution of iodoplumbate complexes in precursor solutions as a function of storage time under a constant humidity environment. A full picture about what water does in the perovskite formation process is brought out, and the "making and breaking" role of water molecules is uncovered to link the structure of iodoplumbate complexes to its final properties. This study sheds light on a full picture about what water does in the perovskite formation process and the role of water, which will lead to developing water-involved strategies for consistent PSC fabrication under ambient conditions.

AB - Identifying the impact of water on iodoplumbate complexes in various solutions is essential for linking the coordination environment of the perovskite precursor to its final perovskite solar cell (PSC) properties. In this study, we propose a digital twin approach based on X-ray absorption fine structure and molecular dynamic simulation to investigate the structure evolution of iodoplumbate complexes in precursor solutions as a function of storage time under a constant humidity environment. A full picture about what water does in the perovskite formation process is brought out, and the "making and breaking" role of water molecules is uncovered to link the structure of iodoplumbate complexes to its final properties. This study sheds light on a full picture about what water does in the perovskite formation process and the role of water, which will lead to developing water-involved strategies for consistent PSC fabrication under ambient conditions.

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DO - 10.1021/acs.jpclett.3c00683

M3 - Article

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SN - 1948-7185

SP - 4876

EP - 4885

JO - The Journal of Physical Chemistry Letters

JF - The Journal of Physical Chemistry Letters

ER -

Water-Regulated Lead Halide Perovskites Precursor Solution: Perovskite Structure Making and Breaking.

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