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Electronic transport properties of linear carbon chains encapsulated inside single-walled carbon nanotubes

  • Tojo, Tomohiro (Department of Electrical and Electronic Information Engineering, Toyohashi University of Technology) ;
  • Kang, Cheon Soo (Faculty of Engineering, Shinshu University) ;
  • Hayashi, Takuya (Faculty of Engineering, Shinshu University) ;
  • Kim, Yoong Ahm (Department of Polymer Engineering, Graduate School, School of Polymer Science and Engineering & Alan G. MacDiarmid Energy Research Institute, Chonnam National University)
  • Received : 2018.01.30
  • Accepted : 2018.03.09
  • Published : 2018.10.31

Abstract

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.

Acknowledgement

Supported by : National Research Foundation of Korea (NRF)

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