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    Significant Impact of Exposed Facets on the BiVO4 Material Performance for Photocatalytic Water Splitting Reactions

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    acs.jpclett.0c01234.pdf
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    Description:
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    Type
    Article
    Authors
    Lardhi, Sheikha F. cc
    Cavallo, Luigi cc
    Harb, Moussab cc
    KAUST Department
    KAUST Catalysis Center (KCC)
    Chemical Science Program
    Physical Science and Engineering (PSE) Division
    Date
    2020-06-25
    Online Publication Date
    2020-06-25
    Print Publication Date
    2020-07-16
    Submitted Date
    2020-04-22
    Permanent link to this record
    http://hdl.handle.net/10754/663895
    
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    Abstract
    The impact of the four predominant (010), (110), (001), and (121) exposed facets obtained experimentally for monoclinic BiVO4 on its photocatalytic performance for water splitting reactions is investigated on the basis of the hybrid density functional theory including the spin–orbit coupling. Although their electronic structure is similar, their transport and redox properties reveal anisotropic characters based on the crystal orientation and termination. The particular role of each facet in proton reduction was correlated with the surface Bi coordination number and their geometrical distribution. Our work predicts the (001) facet as the only good candidate for both HER and OER, while the (010) facet is a fitting candidate for OER only. The (110) and (121) surfaces are acceptable candidates only for OER but less potential than (001) and (010). These outcomes will efficiently conduct experimentalists for an attentive design of facet-oriented BiVO4 samples toward improving water oxidation and proton reduction.
    Citation
    Lardhi, S., Cavallo, L., & Harb, M. (2020). Significant Impact of Exposed Facets on the BiVO4 Material Performance for Photocatalytic Water Splitting Reactions. The Journal of Physical Chemistry Letters, 5497–5503. doi:10.1021/acs.jpclett.0c01234
    Sponsors
    This research was supported by the King Abdullah University of Science and Technology (KAUST). The authors warmly acknowledge the KAUST Supercomputing Laboratory (KSL) for the CPU hours attributed to this work.
    Publisher
    American Chemical Society (ACS)
    Journal
    The Journal of Physical Chemistry Letters
    DOI
    10.1021/acs.jpclett.0c01234
    Additional Links
    https://pubs.acs.org/doi/10.1021/acs.jpclett.0c01234
    ae974a485f413a2113503eed53cd6c53
    10.1021/acs.jpclett.0c01234
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

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