Electronic transport properties of linear carbon chains encapsulated inside single-walled carbon nanotubes
관리자2018-11-06조회 4171
Linear carbon chains (LCCs) encapsulated inside the hollow cores of carbon nanotubes
(CNTs) have been experimentally synthesized and structurally characterized by Raman
spectroscopy and transmission electron microscopy. However, in terms of electronic
conductivity, their transportation mechanism has not been investigated theoretically or
experimentally. In this study, the density of states and quantum conductance spectra were
simulated through density functional theory combined with the non-equilibrium Green
function method. The encapsulated LCCs inside (5,5), (6,4), and (9,0) single-walled carbon
nanotubes (SWCNTs) exhibited a drastic change from metallic to semiconducting or from
semiconducting to metallic due to the strong charge transfer between them. On the other
hand, the electronic change in the conductance value of LCCs encapsulated inside the (7,4)
SWCNT were in good agreement with the superposition of the individual SWCNTs and the
isolated LCCs owing to the weak charge transfer.
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