A first-principle study of one-dimensional carbon atomic chain inserted single-wall carbon nanotubes.
Using first principles calculations, we investigate the atomic and electronic structure of carbon nanowires (CNWs) as the carbon chain inserted into single wall carbon nanotubes (SWCNTs). It indicates that the (5,5) CNW system exhibits metallic character, however, the insertion of carbon chain can transit a semi-conducting (9,0) SWCNT into a metallic.
Mao
Yuliang
Y
Institute of Modern Physics and Key Laboratory for Advanced Materials and Rheological Properties of Ministry of Education, Xiangtan University, Xiangtan 411105, Hunan, P. R. China.
Zhong
JianXin
J
Yuan
JianMei
J
Zhao
Xinluo
X
Ando
Yoshinori
Y
D001665:Binding Sites; D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D003460:Crystallization / Q000379:methods*; D004553:Electric Conductivity; D008670:Metals / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000032:analysis / Q000737:chemistry*; D036103:Nanotechnology / Q000379:methods*; D011789:Quantum Theory
D008670:Metals; D002244:Carbon