TY - GEN
T1 - Electronic structure of straight and T-shape singled-wall carbon nanotube junctions
T2 - International Conference on Smart Materials-Smart/Intelligent Materials and Nano Technology, (SmartMat-'08) and 2nd International Workshop on Functional Materials and Nanomaterials (IWOFM-2)
AU - Udomvech, A.
AU - Kerdcharoen, T.
PY - 2008
Y1 - 2008
N2 - In this paper, the straight and T-shape single-walled carbon nanotube intramolecular junction (SWCNT-IMJ) were studied theoretically. The geometries of topological defect can be constructed by fusing two nanotubes having different helicities and diameters. For straight IMJ, the armchair (5,5) and (8,8) nanotubes segments were fused with the zigzag (n, 0) segment varying from (6,0) to (10,0). T-junctions were constructed by joining a zigzag (n, O) tube, varying from n = 5 to 10, onto a fixed zigzag (9,0) tube sidewall. These junctions are composed of one or more pentagon and heptagon rings, and mixed pentagon-heptagon pairs as defects in the perfect hexagonal lattice. The study shows that the occurrence of defects geometries on SWCNT-IMJ and T-shape structures depends on the variation of tube helicity and diameter of combining nanotubes. The HOMO-LUMO energy levels exhibit the even-odd "quantum size" oscillation. The decreasing energy gap depends on variation of tube helicity and diameter of carbon nanotube. This study can be helpful as a knowledge base in the field of carbon nanotube molecular electronics.
AB - In this paper, the straight and T-shape single-walled carbon nanotube intramolecular junction (SWCNT-IMJ) were studied theoretically. The geometries of topological defect can be constructed by fusing two nanotubes having different helicities and diameters. For straight IMJ, the armchair (5,5) and (8,8) nanotubes segments were fused with the zigzag (n, 0) segment varying from (6,0) to (10,0). T-junctions were constructed by joining a zigzag (n, O) tube, varying from n = 5 to 10, onto a fixed zigzag (9,0) tube sidewall. These junctions are composed of one or more pentagon and heptagon rings, and mixed pentagon-heptagon pairs as defects in the perfect hexagonal lattice. The study shows that the occurrence of defects geometries on SWCNT-IMJ and T-shape structures depends on the variation of tube helicity and diameter of combining nanotubes. The HOMO-LUMO energy levels exhibit the even-odd "quantum size" oscillation. The decreasing energy gap depends on variation of tube helicity and diameter of carbon nanotube. This study can be helpful as a knowledge base in the field of carbon nanotube molecular electronics.
KW - Carbon nanotubes
KW - Intramolecular junctions
KW - Molecular electronics
KW - Semi-empirical AM1
KW - Single-walled
KW - Straight junctions
KW - T-shape junctions
KW - Topological defect
UR - https://www.scopus.com/pages/publications/62949129922
U2 - 10.4028/www.scientific.net/amr.55-57.565
DO - 10.4028/www.scientific.net/amr.55-57.565
M3 - Conference contribution
AN - SCOPUS:62949129922
SN - 0878493565
SN - 9780878493562
T3 - Advanced Materials Research
SP - 565
EP - 568
BT - Smart Materials - International Conference on Smart Materials Smart/Intelligent Materials and Nanotechnology, (Smartmat-'08) and the 2nd International Workshop on Functional Materials and Nanomaterial
PB - Trans Tech Publications
Y2 - 22 April 2008 through 25 April 2008
ER -