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    Defect-Triggered Phase Transition in Cesium Lead Halide Perovskite Nanocrystals

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    Type
    Article
    Authors
    Ma, Ju-Ping
    Yin, Jun cc
    Chen, Ya-Meng
    Zhao, Qing
    Zhou, Yang
    Li, Hong
    Kuroiwa, Yoshihiro
    Moriyoshi, Chikako
    Li, Zhi-Yong
    Bakr, Osman cc
    Mohammed, Omar F. cc
    Sun, Hong-Tao
    KAUST Department
    Chemical Science
    Chemical Science Program
    Functional Nanomaterials Lab (FuNL)
    KAUST Catalysis Center
    KAUST Catalysis Center (KCC)
    KAUST Solar Center
    KAUST Solar Center (KSC)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Ultrafast Laser Spectroscopy and Four-dimensional Electron Imaging Research Group
    Date
    2019-06-14
    Online Publication Date
    2019-06-14
    Print Publication Date
    2019-07
    Permanent link to this record
    http://hdl.handle.net/10754/656069
    
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    Abstract
    All-inorganic perovskite nanocrystals (NCs) have emerged as a class of low-cost and high-efficiency light-emitting materials. However, the structure and phase transition behavior of these NCs remain poorly understood. Here, we provide unambiguous evidence that all these properties are associated with structural defects in NCs. Using CsPbCl3 NCs as a model system, we find that the cubic subdomains in highly defective NCs gradually convert to the orthorhombic upon cooling room-temperature quasi-cubic NCs, whereas high-quality cousins, with mixed cubic and orthorhombic subdomains at room temperature, exhibit a significant resistance for such a phase transition. Car-Parrinello molecular dynamics simulations unveil the important role of point defects in triggering a stepwise, reversible phase transition of CsPbCl3 NCs. Importantly, we show that the defect-triggered phase transition also exists in other all-inorganic perovskite NCs. Our findings provide new insight into the structure and phase transition of CsPbX3 NCs and highlight the important role of defects in impacting these properties.
    Citation
    Ma, J.-P., Yin, J., Chen, Y.-M., Zhao, Q., Zhou, Y., Li, H., … Sun, H.-T. (2019). Defect-Triggered Phase Transition in Cesium Lead Halide Perovskite Nanocrystals. ACS Materials Letters, 1(1), 185–191. doi:10.1021/acsmaterialslett.9b00128
    Sponsors
    This work was supported by the National Natural Science Foundation of China (Grant Nos. 11874275 and 11574225) and two projects funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD) and the State Key Laboratory of Luminescence and Applications, Chinese Academy of Sciences. The SPring-8 experiment was carried out with the approval of the Japan Synchrotron Radiation Research Institute (JASRI; Proposal No. 2017B1309). Computational work was supported by the Supercomputing Laboratory at King Abdullah University of Science and Technology (KAUST).
    Publisher
    American Chemical Society (ACS)
    Journal
    ACS Materials Letters
    DOI
    10.1021/acsmaterialslett.9b00128
    Additional Links
    http://pubs.acs.org/doi/10.1021/acsmaterialslett.9b00128
    ae974a485f413a2113503eed53cd6c53
    10.1021/acsmaterialslett.9b00128
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; Material Science and Engineering Program; KAUST Catalysis Center (KCC); KAUST Solar Center (KSC)

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