Grain boundary and its hydrogenated effect in stanene

The geometric and electronic properties of grain boundary (GB) in two-dimensional (2D) stanene have been investigated by first-principles calculations. Four typical GB structures with particularly low formation energies were found. These extended defects act as quasi-one-dimensional semiconductor or...

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Bibliographic Details
Main Authors: Zhili Zhu, Qiang Sun, Yu Jia
Format: Article
Language:English
Published: AIP Publishing LLC 2016-03-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4944621