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Electronic and optical properties of boron and nitrogen pair co-doped 6,6,12-graphyne nanosheet

文献类型：期刊论文

作者Sun, Zhen-Long1; Shao, Zhi-Gang1; Wang, Cang-Long2; Yang, Lei2
刊名CARBON
出版日期2016-12-01
卷号110页码:313-320
ISSN号0008-6223
DOI10.1016/j.carbon.2016.09.049
英文摘要We investigate the electronic and optical properties of boron-nitrogen pair co-doped 6,6,12-graphyne nanosheets using first-principles calculations. For the electronic band structure, we find the band gap exhibits an even-odd effect with an increase in doping concentration. Exploring the optical properties, we calculate the dielectric function, reflectivity, and absorption coefficient under both parallel and perpendicular polarizations. Remarkably, the co-doped 6,6,12-graphyne shows a broad frequency photo response. Under parallel polarizations, co-doping leads to a reduced static dielectric constant in the long wavelength limit. Furthermore, the reflectivity and absorption spectra show that the co-doped 6,6,12-graphyne nanosheets are highly sensitive to light from the infrared to the ultraviolet regimes. When doping concentration increases, the maximum reflectivity coefficient increases after an initial decrease under the longitudinal parallel polarization, in contrast to its oscillating behavior under the transverse parallel polarization. For all polarizations, the maximum absorption coefficient varies non-monotonically with doping concentration. (C) 2016 Elsevier Ltd. All rights reserved.
WOS关键词TRANSPORT-PROPERTIES ; GRAPHENE NANOSHEET ; BILAYER GRAPHENE ; DIRAC CONE ; CARBON ; NANORIBBONS ; TRANSITION ; GRAPHYNE ; CASTEP
资助项目National Natural Science Foundation of China[11105054] ; National Natural Science Foundation of China[11274124] ; National Natural Science Foundation of China[11304324] ; PCSIRT[IRT1243] ; China Scholarship Council ; high-performance computing platform of South China Normal University ; National Magnetic Confinement Fusion Science Program of China[2014GB104002] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDA03030100]
WOS研究方向Chemistry ; Materials Science
语种英语
出版者PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号WOS:000386402700035
资助机构National Natural Science Foundation of China ; PCSIRT ; China Scholarship Council ; high-performance computing platform of South China Normal University ; National Magnetic Confinement Fusion Science Program of China ; Strategic Priority Research Program of the Chinese Academy of Sciences
源URL[http://119.78.100.186/handle/113462/43546]  
专题中国科学院近代物理研究所
通讯作者Shao, Zhi-Gang; Yang, Lei
作者单位1.South China Normal Univ, SPTE, Guangdong Prov Key Lab Quantum Engn & Quantum Mat, Guangzhou 510006, Guangdong, Peoples R China
2.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
推荐引用方式
GB/T 7714		 Sun, Zhen-Long,Shao, Zhi-Gang,Wang, Cang-Long,et al. Electronic and optical properties of boron and nitrogen pair co-doped 6,6,12-graphyne nanosheet[J]. CARBON,2016,110:313-320.
APA Sun, Zhen-Long,Shao, Zhi-Gang,Wang, Cang-Long,&Yang, Lei.(2016).Electronic and optical properties of boron and nitrogen pair co-doped 6,6,12-graphyne nanosheet.CARBON,110,313-320.
MLA Sun, Zhen-Long,et al."Electronic and optical properties of boron and nitrogen pair co-doped 6,6,12-graphyne nanosheet".CARBON 110(2016):313-320.

入库方式： OAI收割

来源：近代物理研究所

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