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    Remarkable Influence of α-SnWO4 Exposed Facets on Its Photocatalytic Performance for H2 and O2 Evolution Reactions

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    Remarkable_acs.jpcc.0c06718.pdf
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    1.149Mb
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    Description:
    Accepted Article
    Embargo End Date:
    2021-07-31
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    Type
    Article
    Authors
    Harb, Moussab cc
    Cavallo, Luigi cc
    Basset, Jean-Marie cc
    KAUST Department
    KAUST Catalysis Center (KCC)
    Physical Science and Engineering (PSE) Division
    Chemical Science Program
    Date
    2020-07-30
    Online Publication Date
    2020-07-30
    Print Publication Date
    2020-08-27
    Embargo End Date
    2021-07-31
    Permanent link to this record
    http://hdl.handle.net/10754/664549
    
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    Abstract
    A significant effect of the five major (121), (210), (111), (200), and (040) exposed facets obtained experimentally for orthorhombic α-SnWO4 material on its performance for photocatalytic water splitting is highlighted from a hybrid DFT-based comprehensive study. Their electronic, redox, and transport characteristics reveal significant anisotropic characters. The specific function of each surface in water oxidation and proton reduction is in direct relationship with the exposed W coordination number. Our study predicts the (210) facet as being the only possible good candidate for OER and HER upon surface modification, whereas the (200) facet is found a good candidate only for HER. The (121) facet is an acceptable candidate for both OER and HER and the (111) facet for HER only but less potentials than (210) and (200). The (040) facet is an unsuitable candidate neither for OER nor for HER. Interestingly, the proposed (001) facet is predicted to be the best candidate for HER. These results indicate the right direction to be followed for enhanced photocatalytic water splitting reactions based on a rational design of facet-oriented α-SnWO4 samples.
    Citation
    Harb, M., Cavallo, L., & Basset, J.-M. (2020). Remarkable Influence of α-SnWO4 Exposed Facets on Its Photocatalytic Performance for H2 and O2 Evolution Reactions. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.0c06718
    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 C
    DOI
    10.1021/acs.jpcc.0c06718
    Additional Links
    https://pubs.acs.org/doi/10.1021/acs.jpcc.0c06718
    ae974a485f413a2113503eed53cd6c53
    10.1021/acs.jpcc.0c06718
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

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