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    Role of Alkali-Metal Cations in Electronic Structure and Halide Segregation of Hybrid Perovskites.

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    Name:
    CsK_final_20200506.pdf
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    Format:
    PDF
    Description:
    Accepted manuscript
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    Type
    Article
    Authors
    Zhang, Siyuan cc
    Tang, Ming-Chun
    Fan, Yuanyuan
    Li, Ruipeng
    Nguyen, Nhan V
    Zhao, Kui
    Anthopoulos, Thomas D. cc
    Hacker, Christina A
    KAUST Department
    Material Science and Engineering Program
    Material Science and Engineering
    Physical Science and Engineering (PSE) Division
    KAUST Solar Center (KSC)
    Date
    2020-07-01
    Online Publication Date
    2020-07-01
    Print Publication Date
    2020-07-29
    Embargo End Date
    2021-07-02
    Submitted Date
    2020-05-07
    Permanent link to this record
    http://hdl.handle.net/10754/664352
    
    Metadata
    Show full item record
    Abstract
    The ability to control or prevent phase segregation in perovskites is crucial to realizing stable and tunable mixed-halide optoelectronic devices. In this work, we systematically examine the impact of alkali-metal-cation (Cs+ and K+) concentration on the band structure, chemical composition, phase segregation, and polycrystalline microstructure on formamidinium-dominated mixed-halide mixed-cation perovskite films. It was found that the incorporation of Cs+ and K+ cations decreases the work function and the core levels of all components shift toward higher binding energy consistent with n-doping the perovskite film, which facilitates electron transfer to the electron transport layer TiO2. A concentration-dependent film structure was observed by X-ray photoemission spectroscopy and grazing incidence wide-angle X-ray scattering where the halides and cations are distributed evenly across perovskite films at low metallic cation concentration (5%). A high metal-cation ratio (20%) leads to halide segregation within the perovskite film and the surface becomes bromide-poor, whereas the bromide and metal cations diffuse more deeply within the film. These differences in electronic properties, element distribution, and film morphology were reflected in the device performance where the power conversion efficiency of low-metallic-cation concentration (5% of Cs+ and K+) perovskite solar cells is ≈5% higher than the high-concentration ones (20%). This study provides valuable chemical and physical insight into the underlying trade-offs in the careful tuning of electrical properties and film structure to optimize multication and mixed-halide hybrid perovskites.
    Citation
    Zhang, S., Tang, M.-C., Fan, Y., Li, R., Nguyen, N. V., Zhao, K., … Hacker, C. A. (2020). Role of Alkali-Metal Cations in Electronic Structure and Halide Segregation of Hybrid Perovskites. ACS Applied Materials & Interfaces. doi:10.1021/acsami.0c08396
    Sponsors
    This work was supported by the National Institute of Standards and Technology (NIST) Financial Assistance Award with Federal Award ID 70NANB16H228, King Abdullah University of Science and Technology (KAUST), and National Natural Science Foundation of China (61974085). Dr. Tang acknowledges support under the Cooperative Research Agreement between the University of Maryland and the National Institute of Standards and Technology Physical Measurement Laboratory, Award 70NANB14H209, through the University of Maryland.
    Publisher
    American Chemical Society (ACS)
    Journal
    ACS applied materials & interfaces
    DOI
    10.1021/acsami.0c08396
    PubMed ID
    32609487
    Additional Links
    https://pubs.acs.org/doi/10.1021/acsami.0c08396
    ae974a485f413a2113503eed53cd6c53
    10.1021/acsami.0c08396
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; KAUST Solar Center (KSC)

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