Grain Boundary Structures and Electronic Properties of Hexagonal Boron Nitride on Cu(111)

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• 作者：Qiucheng Li ; Xiaolong Zou ; Mengxi Liu ; Jingyu Sun ; Yabo Gao ; Yue Qi ; Xiebo Zhou ; Boris I. Yakobson ; Yanfeng Zhang ; Zhongfan Liu
• 刊名：Nano Letters
• 出版年：2015
• 出版时间：September 9, 2015
• 年：2015
• 卷：15
• 期：9
• 页码：5804-5810
• 全文大小：574K
• ISSN：1530-6992

文摘

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.