ID:
publications-4749
Type:
article
Year:
2023
Authors:
Zuo, Shouwei and Niu, Wenchao and Chu, Shengqi and An, Pengfei and Huang, Huan and Zheng, Lirong and Zhao, Leiga and Zhang, Jing
Title:
Water-Regulated Lead Halide Perovskites Precursor Solution: Perovskite Structure Making and Breaking
Venue/Journal:
The journal of physical chemistry letters
DOI:
10.1021/acs.jpclett.3c00683
Research type:
Water System:
Technical Focus:
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 β€_x009c_making and breakingβ€_x009d_ 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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