DocumentCode
3216179
Title
Electronic properties of gold-doped graphene nanoribbons
Author
Xu, Jimmy M. ; Hu, Xue Hui ; Sun, Jian ; Yin, K.B. ; Lei, S.Y. ; Sun, L.T.
Author_Institution
Key Lab. of MEMS of Minist. of Educ., Southeast Univ., Nanjing, China
fYear
2010
fDate
14-16 Oct. 2010
Firstpage
544
Lastpage
545
Abstract
The properties of graphene nanoribbons can be modified by impurity atoms. Recently, the migration of individual gold atoms doped in graphenic structures has been studied in situ by high-resolution transmission electron microscopy (HRTEM) [1]. Later, density-functional theory calculations were used to explain the dynamics of the gold atoms on substitutional sites in graphene [2]. In this article, we present the electronic properties of Au-doped graphene nanoribbons using first-principles calculations based on DMol3 package.
Keywords
ab initio calculations; electronic structure; gold; graphene; nanostructured materials; C:Au; DMol3 package; HRTEM; density-functional theory calculations; electronic properties; first-principles calculations; gold atoms; gold-doped graphene nanoribbons; graphenic structures; high-resolution transmission electron microscopy; impurity atoms; migration; substitutional sites;
fLanguage
English
Publisher
ieee
Conference_Titel
Vacuum Electron Sources Conference and Nanocarbon (IVESC), 2010 8th International
Conference_Location
Nanjing
Print_ISBN
978-1-4244-6645-0
Type
conf
DOI
10.1109/IVESC.2010.5644202
Filename
5644202
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