IHEP OpenIR  > 多学科研究中心
Chirality and diameter dependent x-ray absorption of single walled carbon nanotubes
Gao B(高斌); Wu ZY(吴自玉); Gao, B; Wu, ZY; Agren, H; Luo, Y
2009
发表期刊JOURNAL OF CHEMICAL PHYSICS
卷号131期号:3页码:34704
通讯作者[Gao, Bin ; Wu, ZiYu] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China ; [Gao, Bin ; Agren, Hans ; Luo, Yi] Royal Inst Technol, Dept Theoret Chem, Sch Biotechnol, SE-10691 Stockholm, Sweden ; [Gao, Bin] Univ Tromso, Dept Chem, CTCC, N-9037 Tromso, Norway
文章类型Article
摘要The lack of good understanding on the electronic structure of individual carbon nanotubes severely limited the applications of carbon nanotubes. By employing density functional theory in combination with the equivalent core hole approximation, we are able to provide near edge x-ray absorption fine structure (NEXAFS) spectra of all possible single walled carbon nanotubes (SWCNTs) with diameters below 1.45 nm. It is shown that the pi(*) absorption edges in NEXAFS spectra of SWCNTs are converged already at the length of 3 nm, while a good description of the full spectra can only be obtained after 7 nm. A recent high resolution experimental spectrum of a bundle of SWCNTs with diameters 1.37 +/- 0.08 nm has been successfully assigned by the calculations. Noticeable chirality and diameter dependence have been identified for the simulated NEXAFS spectra. The collection of calculated spectra serves as a useful reference for experimental identification of individual carbon nanotubes.
关键词carbon nanotubes chirality density functional theory electronic structure XANES
学科领域Physics
研究领域[WOS]Physics ; Physics
DOI10.1063/1.3181809
URL查看原文
语种英语
研究领域[WOS]Physics ; Physics
WOS类目Physics, Atomic, Molecular & Chemical
WOS记录号WOS:000268206800050
引用统计
被引频次:17[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/240573
专题多学科研究中心
作者单位中国科学院高能物理研究所
推荐引用方式
GB/T 7714
Gao B,Wu ZY,Gao, B,et al. Chirality and diameter dependent x-ray absorption of single walled carbon nanotubes[J]. JOURNAL OF CHEMICAL PHYSICS,2009,131(3):34704.
APA 高斌,吴自玉,Gao, B,Wu, ZY,Agren, H,&Luo, Y.(2009).Chirality and diameter dependent x-ray absorption of single walled carbon nanotubes.JOURNAL OF CHEMICAL PHYSICS,131(3),34704.
MLA 高斌,et al."Chirality and diameter dependent x-ray absorption of single walled carbon nanotubes".JOURNAL OF CHEMICAL PHYSICS 131.3(2009):34704.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
8933.pdf(581KB)期刊论文作者接受稿限制开放CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[高斌]的文章
[吴自玉]的文章
[Gao, B]的文章
百度学术
百度学术中相似的文章
[高斌]的文章
[吴自玉]的文章
[Gao, B]的文章
必应学术
必应学术中相似的文章
[高斌]的文章
[吴自玉]的文章
[Gao, B]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。