Unraveling the thermodynamic origins and kinetic pathways of intermediate phase engineering in perovskite solar cells

Jinghao Ge; Fengzhu Li; Lu Zhang; Jiaxue You; Shengzhong (Frank) Liu; Alex K.-Y. Jen

doi:10.1016/j.matt.2025.102144

Unraveling the thermodynamic origins and kinetic pathways of intermediate phase engineering in perovskite solar cells

Jinghao Ge, Fengzhu Li, Lu Zhang, Jiaxue You^*, Shengzhong (Frank) Liu^*, Alex K.-Y. Jen^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Abstract

Intermediate phases, which are transient crystalline structures formed between the precursor solution and the final perovskite film, play a pivotal role in regulating crystal growth, reducing defect densities, and enhancing film uniformity in perovskite solar cells (PSCs). This review explores the thermodynamic principles and kinetic pathways that govern the formation of these intermediate phases during perovskite crystallization. We delve into the theoretical underpinnings of two-step nucleation models, which provide a more accurate depiction of the crystallization process than classical nucleation theory. The two-step nucleation model shows that intermediate phases are metastable structures with lower nucleation energy barriers compared to the final crystalline phase. This review aims to guide future research efforts by highlighting the current understanding of intermediate phase mechanisms and the role of artificial intelligence in designing the next generation of high-efficiency, stable, and large-area PSCs. © 2025 Published by Elsevier Inc.

Original language	English
Article number	102144
Number of pages	23
Journal	Matter
Volume	8
Issue number	7
Online published	2 Jul 2025
DOIs	https://doi.org/10.1016/j.matt.2025.102144
Publication status	Published - 2 Jul 2025

Funding

J.Y. is grateful for support from Hon Hai (AC-202403-02-3). S.L. is grateful for support from the National Key R&D Program of China (2022YFE0138100), the National Natural Science Foundation of China (52350710208, U21A20102, and 62174103), the 111 Project (B1404), the Cooperation Foundation of Yulin University and Dalian National Laboratory for Clean Energy (YLU-DNL Fund 2022011), the Project of Knowledge Innovation Engineering (Y261261606), the Fundamental Research Funds for the Central Universities (GK202103106), and the Shanxi Science and Technology Department (20201101012). A.K.-Y.J. is grateful for the sponsorship of the Lee Shau-Kee Chair Professor (Materials Science) and support from APRC grants (9380086 and 9610508) of the City University of Hong Kong, a TCFS grant (GHP/018/20SZ) and an MRP grant (MRP/040/21X) from the Innovation and Technology Commission of Hong Kong, the Green Tech Fund (202020164) from the Environment and Ecology Bureau of Hong Kong, GRF grants (11307621 and 11316422) from the Research Grants Council of Hong Kong, the Shenzhen Science and Technology Program (SGDX20201103095412040), and the Guangdong Major Project of Basic and Applied Basic Research (2019B030302007).

Research Keywords

crystallization
intermediate phase engineering
kinetic pathways
perovskite solar cells
thermodynamic origins

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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title = "Unraveling the thermodynamic origins and kinetic pathways of intermediate phase engineering in perovskite solar cells",

abstract = "Intermediate phases, which are transient crystalline structures formed between the precursor solution and the final perovskite film, play a pivotal role in regulating crystal growth, reducing defect densities, and enhancing film uniformity in perovskite solar cells (PSCs). This review explores the thermodynamic principles and kinetic pathways that govern the formation of these intermediate phases during perovskite crystallization. We delve into the theoretical underpinnings of two-step nucleation models, which provide a more accurate depiction of the crystallization process than classical nucleation theory. The two-step nucleation model shows that intermediate phases are metastable structures with lower nucleation energy barriers compared to the final crystalline phase. This review aims to guide future research efforts by highlighting the current understanding of intermediate phase mechanisms and the role of artificial intelligence in designing the next generation of high-efficiency, stable, and large-area PSCs. {\textcopyright} 2025 Published by Elsevier Inc.",

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AU - Ge, Jinghao

AU - Li, Fengzhu

AU - Zhang, Lu

AU - You, Jiaxue

AU - Liu, Shengzhong (Frank)

AU - Jen, Alex K.-Y.

PY - 2025/7/2

Y1 - 2025/7/2

N2 - Intermediate phases, which are transient crystalline structures formed between the precursor solution and the final perovskite film, play a pivotal role in regulating crystal growth, reducing defect densities, and enhancing film uniformity in perovskite solar cells (PSCs). This review explores the thermodynamic principles and kinetic pathways that govern the formation of these intermediate phases during perovskite crystallization. We delve into the theoretical underpinnings of two-step nucleation models, which provide a more accurate depiction of the crystallization process than classical nucleation theory. The two-step nucleation model shows that intermediate phases are metastable structures with lower nucleation energy barriers compared to the final crystalline phase. This review aims to guide future research efforts by highlighting the current understanding of intermediate phase mechanisms and the role of artificial intelligence in designing the next generation of high-efficiency, stable, and large-area PSCs. © 2025 Published by Elsevier Inc.

AB - Intermediate phases, which are transient crystalline structures formed between the precursor solution and the final perovskite film, play a pivotal role in regulating crystal growth, reducing defect densities, and enhancing film uniformity in perovskite solar cells (PSCs). This review explores the thermodynamic principles and kinetic pathways that govern the formation of these intermediate phases during perovskite crystallization. We delve into the theoretical underpinnings of two-step nucleation models, which provide a more accurate depiction of the crystallization process than classical nucleation theory. The two-step nucleation model shows that intermediate phases are metastable structures with lower nucleation energy barriers compared to the final crystalline phase. This review aims to guide future research efforts by highlighting the current understanding of intermediate phase mechanisms and the role of artificial intelligence in designing the next generation of high-efficiency, stable, and large-area PSCs. © 2025 Published by Elsevier Inc.

KW - crystallization

KW - intermediate phase engineering

KW - kinetic pathways

KW - perovskite solar cells

KW - thermodynamic origins

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ER -

Unraveling the thermodynamic origins and kinetic pathways of intermediate phase engineering in perovskite solar cells

Abstract

Funding

Research Keywords

UN SDGs

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GRF: Molecular Engineering of 1D Hybrid Perovskites for Improving the Performance and Stability of Metal Halide Perovskite Solar Cells

ITF: Development of Efficient and Stable Perovskite Solar Cell with Safe-to-Use

ITF: Using High-Throughput Optical Model to Design High Performance Thin Film Structures for Next-Generation Glass Materials and Products

Cite this

Unraveling the thermodynamic origins and kinetic pathways of intermediate phase engineering in perovskite solar cells

Abstract

Funding

Research Keywords

UN SDGs

Access Output

Other Access Options

Permanent Link

Other Files and Links

Fingerprint

Projects

GRF: Molecular Engineering of 1D Hybrid Perovskites for Improving the Performance and Stability of Metal Halide Perovskite Solar Cells

ITF: Development of Efficient and Stable Perovskite Solar Cell with Safe-to-Use

ITF: Using High-Throughput Optical Model to Design High Performance Thin Film Structures for Next-Generation Glass Materials and Products

Cite this