Influence of oxygen impurities on the electronic properties of graphene nanoflakes

被引：37

作者：

Al-Abboodi, Mohammed H. ^{[1
]}

Ajeel, Fouad N. ^{[1
]}

Khudhair, Alaa M. ^{[1
]}

机构：

[1] Thi Qar Univ, Coll Sci, Dept Phys, Nassiriya 64000, Iraq

来源：

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2017年 / 88卷

关键词：

GNFs; DFT; B3LYP; DOS; Energy gap;

D O I：

10.1016/j.physe.2016.11.023

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Controlled chemical doping with oxygen impurities is a promising approach for the electronic band engineering of graphene nanoflakes (GNFs). Based on the first-principles of the density functional theory (DFT) calculations, we investigated the effect of various consternations of substitutional impurities from oxygen atoms on the electronic properties of GNFs. Our results show that the electronic properties of GNFs do not only depend on the oxygen impurity concentrations, but also depend on the geometrical pattern of oxygen impurities in the GNFs. Additionally, we also found interesting electronic properties of GNFs structure, which significantly contribute to that oxygen dopants cause a decreased energy gap. So, our results suggest that substitutional impurities are the best viable option for enhancement of desired electronic properties of GNFs.

引用

页码：1 / 5

页数：5

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