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High-throughput micro-scale bandgap mapping for perovskite-inspired materials with complex composition space

Author

Listed:
  • Fang Sheng

    (Massachusetts Institute of Technology)

  • Kangyu Ji

    (Massachusetts Institute of Technology
    Massachusetts Institute of Technology)

  • Linjie Dai

    (Massachusetts Institute of Technology
    University of Cambridge)

  • Alexander E. Siemenn

    (Massachusetts Institute of Technology)

  • Eunice Aissi

    (Massachusetts Institute of Technology)

  • Hamide Kavak

    (Massachusetts Institute of Technology
    Cukurova University)

  • Basita Das

    (Massachusetts Institute of Technology)

  • Tianran Liu

    (Massachusetts Institute of Technology
    Massachusetts Institute of Technology)

  • Shijing Sun

    (University of Washington)

  • Tonio Buonassisi

    (Massachusetts Institute of Technology)

Abstract

To realize the full promise of high-throughput experimental workflows, the rate of sample synthesis must be matched by that of characterization. Of growing interest are contactless optical techniques that can rapidly measure material homogeneity and properties. Here, we present a hyperspectral imaging method to measure local optical bandgap distributions within samples, utilizing spatially-resolved reflectance spectra coupled with automated data analysis. We collect approximately one million optical bandgap data across the compositional space of Cs3(BixSb1-x)2(BryI1-y)9 perovskite-inspired materials. Our results show non-monotonic bandgap variations (i.e., bandgap bowing) along six composition gradient sequences, in addition to identifying samples with multiple bandgaps in statistics. High-throughput transient absorption spectroscopy reveals that within these compositions, the depletion of the ground state carriers to excited states occurred at discrete energy levels with independent carrier dynamics, consistent with the bandgap observation and indicative of phase separation. This work demonstrates the potential for rapid optical measurements to assess material quality and homogeneity in a high-throughput experimental setting, supporting screening and recipe optimization of optoelectronic material candidates with desired carrier dynamics and optical properties.

Suggested Citation

  • Fang Sheng & Kangyu Ji & Linjie Dai & Alexander E. Siemenn & Eunice Aissi & Hamide Kavak & Basita Das & Tianran Liu & Shijing Sun & Tonio Buonassisi, 2025. "High-throughput micro-scale bandgap mapping for perovskite-inspired materials with complex composition space," Nature Communications, Nature, vol. 16(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-62774-y
    DOI: 10.1038/s41467-025-62774-y
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    References listed on IDEAS

    as
    1. Alexander E. Siemenn & Eunice Aissi & Fang Sheng & Armi Tiihonen & Hamide Kavak & Basita Das & Tonio Buonassisi, 2024. "Using scalable computer vision to automate high-throughput semiconductor characterization," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    2. Mantas Simenas & Sergejus Balciunas & Jacob N. Wilson & Sarunas Svirskas & Martynas Kinka & Andrius Garbaras & Vidmantas Kalendra & Anna Gagor & Daria Szewczyk & Adam Sieradzki & Miroslaw Maczka & Vyt, 2020. "Suppression of phase transitions and glass phase signatures in mixed cation halide perovskites," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    3. Peng Gao & Abd Rashid Mohd Yusoff & Mohammad Khaja Nazeeruddin, 2018. "Dimensionality engineering of hybrid halide perovskite light absorbers," Nature Communications, Nature, vol. 9(1), pages 1-14, December.
    4. Minxiang Zeng & Yipu Du & Qiang Jiang & Nicholas Kempf & Chen Wei & Miles V. Bimrose & A. N. M. Tanvir & Hengrui Xu & Jiahao Chen & Dylan J. Kirsch & Joshua Martin & Brian C. Wyatt & Tatsunori Hayashi, 2023. "High-throughput printing of combinatorial materials from aerosols," Nature, Nature, vol. 617(7960), pages 292-298, May.
    5. Weijun Ke & Mercouri G. Kanatzidis, 2019. "Prospects for low-toxicity lead-free perovskite solar cells," Nature Communications, Nature, vol. 10(1), pages 1-4, December.
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