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Charge transfer and gap states in semiconducting nanopeapods: a theoretical study

Title
Charge transfer and gap states in semiconducting nanopeapods: a theoretical study
Authors
Han, SW
Ewha Authors
한승우
Issue Date
2004
Journal Title
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
ISSN
0374-4884JCR Link
Citation
vol. 44, no. 4, pp. 894 - 898
Keywords
nano-peapodfullereneelectronic structurenanotube
Publisher
KOREAN PHYSICAL SOC
Indexed
SCI; SCIE; SCOPUS; KCI WOS scopus
Abstract
The electronic structures of nanopeapods that consist of a semiconducting nanotube and various fullerenes, such as C-60, C-82, La@C-60, and La@C-82 are investigated using a first-principles method. For all the systems studied, molecular states originating from fullerenes are found within the energy gap of the semiconducting nanotube, often resulting in effective hole doping of nanotubes as the Fermi level shifts. In the case where C-60 and La@C-60 are encapsulated, a rigid band model considering the work function of each constituent explains the band structure of the full system. The charge redistribution in nanopeapods with C-82 and La@C-82, on the other hand, leads to a rigid shift of fullerene bands.
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자연과학대학 > 물리학전공 > Journal papers
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