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题名: Optical properties of single-walled 4 angstrom carbon nanotubes
作者: Liang, WZ;  Yokojima, S;  Ng, MF;  Chen, GH;  He, GZ
刊名: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
发表日期: 2001-10-10
卷: 123, 期:40, 页:9830-9836
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: Optical properties of a series of finite sized hydrogenated carbon nanotubes with the smallest diameter of 4 Angstrom are studied systematically. Their absorption spectra are calculated with the localized-density-matrix method. The semiempirical MNDO parametric method 3 (PM3) Hamiltonian is employed. The finite optical gaps are predicted for the infinite long single-walled carbon nanotubes. Strong anisotropy characteristics of the dynamic polarizabilities are found for these tubes. The calculated results are in good agreement with the recent experimental findings. Further the compositions of the dipole-induced excitations are examined by projecting the corresponding density matrices onto the Hartree-Fock molecular orbital representation. Unlike the larger diameter carbon nanotubes whose absorption spectra are insensitive to the tube chiralities, the absorption spectra of 4 Angstrom single-walled carbon nanotubes depend very much on their chiralities. The chirality of the single-walled 4 Angstrom carbon nanotubes synthesized in the channels of the porous zeolites is thus determined to be (5,0) by comparing the calculated and measured absorption spectra.
关键词[WOS]: SCANNING-TUNNELING-MICROSCOPY ;  DENSITY-MATRIX METHOD ;  ELECTRONIC-STRUCTURE ;  MATERIALS SCIENCE ;  GRAPHENE TUBULES ;  GROWTH ;  SPECTROSCOPY ;  MICROTUBULES ;  STATES ;  SIZE
语种: 英语
WOS记录号: WOS:000171508600013
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138899
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Univ Hong Kong, Dept Chem, Hong Kong, Hong Kong, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian, Peoples R China

Recommended Citation:
Liang, WZ,Yokojima, S,Ng, MF,et al. Optical properties of single-walled 4 angstrom carbon nanotubes[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2001,123(40):9830-9836.
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