title: A first-principle study of one-dimensional carbon atomic chain inserted single-wall carbon nanotubes.
abstract: 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.
authors.affiliation: 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.
authors.forename: Yuliang
authors.initials: Y
authors.lastname: Mao
authors.forename: JianXin
authors.initials: J
authors.lastname: Zhong
authors.forename: JianMei
authors.initials: J
authors.lastname: Yuan
authors.forename: Xinluo
authors.initials: X
authors.lastname: Zhao
authors.forename: Yoshinori
authors.initials: Y
authors.lastname: Ando
mesh_terms: 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
chemical_list: D008670:Metals; D002244:Carbon