石墨烯
六方氮化硼
材料科学
硼
石墨烯纳米带
氮化硼
密度泛函理论
非线性光学
碳纳米管
六方晶系
纳米技术
非线性系统
光电子学
化学物理
计算化学
化学
结晶学
物理
量子力学
有机化学
作者
Hua Zhou,Zhong‐Jun Zhou,Gao Yu,Chen Wei,Xuri Huang,Zhi‐Ru Li
标识
DOI:10.1016/j.cplett.2014.08.072
摘要
The second-order nonlinear optical (NLO) properties of a set of hexagonal boron nitride (BN) hybrid graphene nanoribbons (h-BN-GNRs) are studied using density functional theory (DFT) methods. It is found that the β0 values of all h-BN-GNRs in our studied systems are much larger than those of the corresponding hexagonal boron nitride (BN) hybrid carbon nanotubes (h-BN-CNTs) [J. Phys. Chem. C 117 (2013) 10039]. Importantly, we find that the tradeoff of nonlinearity and transparency could be well modulated by controlling the shape, size, and hybrid position of the h-BN ribbons in GNRs.
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