The effects of electronic field on the atomic structure of the graphene/α-SiO2 interface

被引：24

作者：

Ao, Z. M. ^{[1
,2
]}

Zheng, W. T. ^{[1
,2
]}

Jiang, Q. ^{[1
,2
]}

机构：

[1] Jilin Univ, Minist Educ, Key Lab Automobile Mat, Changchun 130025, Peoples R China

[2] Jilin Univ, Dept Mat Sci & Engn, Changchun 130025, Peoples R China

来源：

NANOTECHNOLOGY | 2008年 / 19卷 / 27期

关键词：

D O I：

10.1088/0957-4484/19/27/275710

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The atomic structure of the graphene/alpha-SiO2(0001) interface under electric field F with different intensities is studied using the density functional theory method. Simulation results indicate that the atomic structure of the graphene/alpha-SiO2(0001) interface has only a slight change under the condition of F <= 0.02 au. However, the distance between substrate and graphene d(0) changes evidently. Moreover, as F reaches 0.03 au, the formation of a C-O covalent bond on the interface is present, which would destroy the excellent electronic properties of graphene. Thus, there exists a maximum for F in application of the graphene.

引用

页数：5

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