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  • Title: Grain Boundary Structures and Electronic Properties of Hexagonal Boron Nitride on Cu(111).
    Author: Li Q, Zou X, Liu M, Sun J, Gao Y, Qi Y, Zhou X, Yakobson BI, Zhang Y, Liu Z.
    Journal: Nano Lett; 2015 Sep 09; 15(9):5804-10. PubMed ID: 26244850.
    Abstract:
    Grain boundaries (GBs) of hexagonal boron nitride (h-BN) grown on Cu(111) were investigated by scanning tunneling microscopy/spectroscopy (STM/STS). The first experimental evidence of the GBs composed of square-octagon pairs (4|8 GBs) was given, together with those containing pentagon-heptagon pairs (5|7 GBs). Two types of GBs were found to exhibit significantly different electronic properties, where the band gap of the 5|7 GB was dramatically decreased as compared with that of the 4|8 GB, consistent with our obtained result from density functional theory (DFT) calculations. Moreover, the present work may provide a possibility of tuning the inert electronic property of h-BN via grain boundary engineering.
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