Exploring the Origin of Phase-Transformation Kinetics of CsPbI3Perovskite Nanocrystals Based on Activation Energy Measurements

Cheng Chieh Lin; Shao Ku Huang; Chung En Hsu; Yu Chen Huang; Chuan Yu Wei; Cheng Yen Wen; Shao Sian Li; Chun Wei Chen; Chia Chun Chen

doi:10.1021/acs.jpclett.0c00443

Exploring the Origin of Phase-Transformation Kinetics of CsPbI₃Perovskite Nanocrystals Based on Activation Energy Measurements

Cheng Chieh Lin, Shao Ku Huang, Chung En Hsu, Yu Chen Huang, Chuan Yu Wei, Cheng Yen Wen, Shao Sian Li, Chun Wei Chen^*, Chia Chun Chen^*

^*Corresponding author for this work

Department of Chemistry

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

24 Citations (Scopus)

Abstract

Perovskite α-CsPbI3 nanocrystals (NCs) with a high fluorescence quantum yield (QY) typically undergo a rapid phase transformation to a low-QY δ-CsPbI3 phase, thus limiting their optoelectronic applications. In this study, organic molecule hexamethyldisilathiane (HMS) is used as a unique surfactant to greatly enhance the stability of the cubic phase of CsPbI3 NCs (HMS-CsPbI3) under ambient conditions. The reaction kinetics of the phase transformation of CsPbI3 NCs are systemically investigated through in situ photoluminescence (PL), X-ray diffraction, and transmission electron microscope (TEM) measurements under moisture. The activation energy of HMS-CsPbI3 NCs is found to be 14 times larger than that of CsPbI3 NCs capped by olyelamine (OLA-CsPbI3 NCs). According to density functional theory calculations, the bonding between HMS and CsPbI3 NCs is stronger than that between OLA and CsPbI3 NCs, preventing the subsequent phase transformation. Our study presents a clear pathway for achieving highly stable CsPbI3 NCs for future applications.

Original language	English
Pages (from-to)	3287-3293
Number of pages	7
Journal	Journal of Physical Chemistry Letters
Volume	11
Issue number	9
DOIs	https://doi.org/10.1021/acs.jpclett.0c00443
Publication status	Published - 2020 May 7

ASJC Scopus subject areas

General Materials Science
Physical and Theoretical Chemistry

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title = "Exploring the Origin of Phase-Transformation Kinetics of CsPbI3Perovskite Nanocrystals Based on Activation Energy Measurements",

abstract = "Perovskite α-CsPbI3 nanocrystals (NCs) with a high fluorescence quantum yield (QY) typically undergo a rapid phase transformation to a low-QY δ-CsPbI3 phase, thus limiting their optoelectronic applications. In this study, organic molecule hexamethyldisilathiane (HMS) is used as a unique surfactant to greatly enhance the stability of the cubic phase of CsPbI3 NCs (HMS-CsPbI3) under ambient conditions. The reaction kinetics of the phase transformation of CsPbI3 NCs are systemically investigated through in situ photoluminescence (PL), X-ray diffraction, and transmission electron microscope (TEM) measurements under moisture. The activation energy of HMS-CsPbI3 NCs is found to be 14 times larger than that of CsPbI3 NCs capped by olyelamine (OLA-CsPbI3 NCs). According to density functional theory calculations, the bonding between HMS and CsPbI3 NCs is stronger than that between OLA and CsPbI3 NCs, preventing the subsequent phase transformation. Our study presents a clear pathway for achieving highly stable CsPbI3 NCs for future applications.",

author = "Lin, {Cheng Chieh} and Huang, {Shao Ku} and Hsu, {Chung En} and Huang, {Yu Chen} and Wei, {Chuan Yu} and Wen, {Cheng Yen} and Li, {Shao Sian} and Chen, {Chun Wei} and Chen, {Chia Chun}",

note = "Publisher Copyright: Copyright {\textcopyright} 2020 American Chemical Society.",

year = "2020",

month = may,

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doi = "10.1021/acs.jpclett.0c00443",

language = "English",

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AU - Lin, Cheng Chieh

AU - Huang, Shao Ku

AU - Hsu, Chung En

AU - Huang, Yu Chen

AU - Wei, Chuan Yu

AU - Wen, Cheng Yen

AU - Li, Shao Sian

AU - Chen, Chun Wei

AU - Chen, Chia Chun

PY - 2020/5/7

Y1 - 2020/5/7

N2 - Perovskite α-CsPbI3 nanocrystals (NCs) with a high fluorescence quantum yield (QY) typically undergo a rapid phase transformation to a low-QY δ-CsPbI3 phase, thus limiting their optoelectronic applications. In this study, organic molecule hexamethyldisilathiane (HMS) is used as a unique surfactant to greatly enhance the stability of the cubic phase of CsPbI3 NCs (HMS-CsPbI3) under ambient conditions. The reaction kinetics of the phase transformation of CsPbI3 NCs are systemically investigated through in situ photoluminescence (PL), X-ray diffraction, and transmission electron microscope (TEM) measurements under moisture. The activation energy of HMS-CsPbI3 NCs is found to be 14 times larger than that of CsPbI3 NCs capped by olyelamine (OLA-CsPbI3 NCs). According to density functional theory calculations, the bonding between HMS and CsPbI3 NCs is stronger than that between OLA and CsPbI3 NCs, preventing the subsequent phase transformation. Our study presents a clear pathway for achieving highly stable CsPbI3 NCs for future applications.

AB - Perovskite α-CsPbI3 nanocrystals (NCs) with a high fluorescence quantum yield (QY) typically undergo a rapid phase transformation to a low-QY δ-CsPbI3 phase, thus limiting their optoelectronic applications. In this study, organic molecule hexamethyldisilathiane (HMS) is used as a unique surfactant to greatly enhance the stability of the cubic phase of CsPbI3 NCs (HMS-CsPbI3) under ambient conditions. The reaction kinetics of the phase transformation of CsPbI3 NCs are systemically investigated through in situ photoluminescence (PL), X-ray diffraction, and transmission electron microscope (TEM) measurements under moisture. The activation energy of HMS-CsPbI3 NCs is found to be 14 times larger than that of CsPbI3 NCs capped by olyelamine (OLA-CsPbI3 NCs). According to density functional theory calculations, the bonding between HMS and CsPbI3 NCs is stronger than that between OLA and CsPbI3 NCs, preventing the subsequent phase transformation. Our study presents a clear pathway for achieving highly stable CsPbI3 NCs for future applications.

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Exploring the Origin of Phase-Transformation Kinetics of CsPbI₃Perovskite Nanocrystals Based on Activation Energy Measurements

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