Exploring the Iodine-Substitution Influence on the Structural and Optical Properties of Low-Dimensional Metal Halide CsPb2Br5

Low-dimensional metal halides, such as the CsPb2X5 family (X = Cl, Br, I), demonstrate exceptional optoelectronic properties, making them attractive for various applications. In this study, we explore the impact of iodine substitution on the structural, vibrational, and photoluminescence properties...

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Bibliographic Details
Published in:Journal of physical chemistry. C 2024-04, Vol.128 (16), p.6821-6828
Main Authors: Gómez, Mayra A. P., Rodríguez-Hernández, Juan S., Araújo, Bruno S., Ferreira, Wellington C., Paschoal, Carlos W. A., Ayala, Alejandro P.
Format: Article
Language:English
Subjects:
C: Physical Properties of Materials and Interfaces
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Summary:Low-dimensional metal halides, such as the CsPb2X5 family (X = Cl, Br, I), demonstrate exceptional optoelectronic properties, making them attractive for various applications. In this study, we explore the impact of iodine substitution on the structural, vibrational, and photoluminescence properties of the low-dimensional CsPb2(Br1–x I x )5 solid solution. Using single-crystal X-ray diffraction, we determined that iodine substitution induces a systematic expansion of the unit cell, affecting bond lengths, layer heights, and distortion angles within the crystal lattice. Raman spectroscopy confirmed these structural changes, revealing softening of vibrational modes and the emergence of new peaks. These findings offer insights into the limits of iodine substitution within the CsPb2(Br1–x I x )5 solid solution. Photoluminescence studies demonstrated a significant redshift in emission wavelength with increasing iodine content, indicative of a tunable optical bandgap. This change, together with enhanced photoluminescence intensity, can be directly correlated to structural modifications caused by iodine substitution. Our investigation establishes CsPb2(Br1–x I x )5 compounds as promising candidates for optoelectronic applications. The observed tunability of their optical properties enables the development of tailored devices, such as photodetectors, light-emitting diodes, and other advanced optoelectronic technologies.
ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.3c08161