Thermal and Dimensional Stability of Photocatalytic Material ZnPS3 Under Extreme Environmental Conditions
Name
Adv Elect Materials - 2025 - Mukherjee - Thermal and Dimensional Stability of Photocatalytic Material ZnPS3 Under Extreme.pdf
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Submitted version
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2.73 MB
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Checksum (MD5)
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Author(s)
Mukherjee, Abhishek
Santamaría‐García, Vivian J
Wlodarczyk, Damian
Somakumar, Ajeesh K
Sybilski, Piotr
Siebenaller, Ryan
Rowe, Emmanuel
Narayanan, Saranya
Susner, Michael A
Lozano‐Sanchez, L Marcelo
Date Issued
June 27, 2025
Journal
Advanced Electronic Materials
Publisher
Wiley
Citation
A. Mukherjee, V. J. Santamaría-García, D. Wlodarczyk, et al. “ Thermal and Dimensional Stability of Photocatalytic Material ZnPS3 Under Extreme Environmental Conditions.” Adv. Electron. Mater. 11, no. 13 (2025): 11, 2500093.
Version
Final published version
Abstract
Zinc phosphorus trisulfide (ZnPS 3 ), a promising material for photocatalysisand energy storage, is shown in this study to exhibit remarkable stabilityunder extreme conditions. Its optical and structural properties are exploredunder high pressure and cryogenic temperatures using photoluminescence(PL) spectroscopy, Raman scattering, and density functional theory (DFT). Theexperimental results identify a pressure-induced phase transition starting at6.75 GPa and stabilizing by 12.5 GPa, after which ZnPS 3 demonstrates robuststability across a broad pressure range up to 24.5 GPa. DFT calculationssupport these observations and further predict a semiconductor-to-semimetaltransition at 100 GPa, while PL measurements reveal defect-assisted emissionthat quench under pressure due to enhanced non-radiative recombination. Atcryogenic temperatures, PL quenching intensifies as non-radiative processesdominate, driven by a rising Grüneisen parameter and reduced phononpopulation. Cryogenic X-ray diffraction (XRD) also reveals a high meanthermal expansion coefficient (TEC) of (4.369 ± 0.393) × 10−5 K−1 , amongthe highest reported for 2D materials. This unique combination of tunableelectronic properties under low pressure and high thermal sensitivity makesZnPS3 a strong candidate for sensing applications in extreme environments.
MIT Department
Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science
Massachusetts Institute of Technology. Department of Mechanical Engineering
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DOI of Published Version
https://doi.org/10.1002/aelm.202500093
