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Fluorination approach to achieving tunable-optical-gap and large-optical-gap nanomaterials from carbon-caged nanoparticles

  1. Author:
    Xie, J. R. H.
    Zhao, J. J.
    Sun, G. Y.
    Cioslowski, J.

  2. Author Address

    Hubei Univ, Dept Phys, Wuhan 430062, Peoples R China. Emory Univ, Cherry L Emerson Ctr Sci Computat, Atlanta, GA 30322 USA. Emory Univ, Dept Chem, Atlanta, GA 30322 USA. Dalian Univ Technol, Coll Adv Sci & Technol, Dalian 116024, Peoples R China. Dalian Univ Technol, State Key Lab Mat Modificat Laser Electron & Ion, Dalian 116024, Peoples R China. NCI, Med Chem Lab, CCR, NIH,DHHS, Frederick, MD 21702 USA. Tech Univ Szczecin, Inst Phys, PL-70451 Szczecin, Poland.;Xie, JRH, Hubei Univ, Dept Phys, Wuhan 430062, Peoples R China.
    1. Year: 2007
    2. Date: Jan
  2. Journal: Journal of Computational and Theoretical Nanoscience
    1. 4
    2. 1
    3. Pages: 142-146
  4. Type of Article: Article
  5. ISSN: 1546-1955
  1. Abstract:

    We propose a fluorination approach to achieving tunable-optical-gap (TOG) and large-optical-gap (LOG) materials from pure carbon-caged nanoparticles such as fullerenes. Taking the fullerene C-60 as an example, we demonstrate that the optical gap and ultraviolet-visible absorption spectrum of C-60 can be tuned over a broad wavelength range by fluorination. The optical tunability of fluorinated C-60 may be used to design tunable optical devices for a wide range of applications. Among fullerenes obeying isolated pentagon rule, C6o is the only known LOG material with an optical gap appearing in the violet region. Our study shows that fluorinating C-60 can lead to novel LOG nanomaterials, such as C60F20, C60F36, and C60F46 whose optical gaps are located in the ultraviolet region. These promising LOG materials are transparent to visible rays, and thus have potential applications.

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External Sources

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  2. DOI: 10.1166/jctn.2007.014
  3. View record in Web of Science®
  4. WOS: 000244730300014

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