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    Tunable optical absorption in silicene molecules

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    Type
    Article
    Authors
    Mokkath, Junais Habeeb
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2016
    Permanent link to this record
    http://hdl.handle.net/10754/617302
    
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    Abstract
    Two-dimensional materials with a tunable band gap that covers a wide range of the solar spectrum hold great promise for sunlight harvesting. For this reason, we investigate the structural, electronic, and optical properties of silicene molecules using time dependent density functional theory. We address the influence of the molecular size, buckling, and charge state as well as that of a dielectric environment. Unlike planar graphene molecules, silicene molecules prefer to form low-buckled structures with strong visible to ultraviolet optical response. We also identify molecular plasmons.
    Citation
    Tunable optical absorption in silicene molecules 2016 J. Mater. Chem. C
    Sponsors
    The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
    Publisher
    Royal Society of Chemistry (RSC)
    Journal
    Journal of Materials Chemistry C
    DOI
    10.1039/C6TC02186G
    Additional Links
    http://pubs.rsc.org/en/Content/ArticleLanding/2016/TC/C6TC02186G
    ae974a485f413a2113503eed53cd6c53
    10.1039/C6TC02186G
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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