ITP OpenIR  > 理论物理所科研产出  > SCI期刊论文
Wang, ZG; Qin, SJ; Wang, CL; Hui, Q; Hui, Q (reprint author), Southwest Univ, Fac Mat & Energy, Chongqing 400715, Peoples R China.
Fluorine adsorption on the graphene films: From metal to insulator
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
Language英语
KeywordFirst Principles Graphene Fluorine Adsorption Magnetic And Electronic Properties
AbstractElectronic structures of fluorinated graphene are investigated by calculations using first-principle density functional theory (DFT). Our results suggest that the average charges on carbons reduce and the adsorption energies increase along with increasing coverages, this agrees with other theoretical/experimental works which show that F adsorption causes p-doping to the graphene. All of the stable configurations with different coverages have a band gap except for the case with one atom adsorption which is metallic. There is a magnetic moment when the number of F adatoms in a supercell on graphene sheet is odd. The magnetism comes from the distortion caused by the interaction between F atom and graphene, which was also manifested in the experimental works of Nair et al. (2012). The band gap range implies that fluorinated graphene, at certain coverage levels, might be useful for solar applications. (C) 2014 Elsevier B.V. All rights reserved.
2015
Volume97Issue:0Pages:14-19
Subject AreaMaterials Science
DOIhttp://dx.doi.org/10.1016/j.commatsci.2014.09.018
Indexed BySCI
Citation statistics
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/21105
Collection理论物理所科研产出_SCI期刊论文
Corresponding AuthorHui, Q (reprint author), Southwest Univ, Fac Mat & Energy, Chongqing 400715, Peoples R China.
Recommended Citation
GB/T 7714
Wang, ZG,Qin, SJ,Wang, CL,et al. Fluorine adsorption on the graphene films: From metal to insulator[J]. COMPUTATIONAL MATERIALS SCIENCE,2015,97(0):14-19.
APA Wang, ZG,Qin, SJ,Wang, CL,Hui, Q,&Hui, Q .(2015).Fluorine adsorption on the graphene films: From metal to insulator.COMPUTATIONAL MATERIALS SCIENCE,97(0),14-19.
MLA Wang, ZG,et al."Fluorine adsorption on the graphene films: From metal to insulator".COMPUTATIONAL MATERIALS SCIENCE 97.0(2015):14-19.
Files in This Item:
File Name/Size DocType Version Access License
Fluorine adsorption (642KB)期刊论文出版稿开放获取CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Wang, ZG]'s Articles
[Qin, SJ]'s Articles
[Wang, CL]'s Articles
Baidu academic
Similar articles in Baidu academic
[Wang, ZG]'s Articles
[Qin, SJ]'s Articles
[Wang, CL]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Wang, ZG]'s Articles
[Qin, SJ]'s Articles
[Wang, CL]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.