title: Changes in single-walled carbon nanotube chirality during growth and regrowth.
abstract: A simple model for joining two single-walled carbon nanotubes (SWNTs) with different, arbitrary chiralities is used to systematically label junction structures which contain pentagon-heptagon pairs. The model is also used, together with density functional theory, to study the energetics of diameter and chirality changes of thin SWNTs during catalyzed growth or regrowth. We choose zigzag and armchair SWNTs attached to a Ni(55) cluster for our case studies.
authors: Physics Department, Göteborg University, SE-412 96 Göteborg, Sweden. wuming.zhu@physics.gu.se
authors: Wuming
authors: W
authors: Zhu
authors: Arne
authors: A
authors: Rosén
authors: Kim
authors: K
authors: Bolton
mesh_terms: D002244:Carbon / Q000737:chemistry; D002384:Catalysis; D003198:Computer Simulation; D008956:Models, Chemical; D008968:Molecular Conformation; D037742:Nanotubes, Carbon / Q000737:chemistry*; D009532:Nickel / Q000737:chemistry
chemical_list: D037742:Nanotubes, Carbon; D002244:Carbon; D009532:Nickel