화학공학소재연구정보센터
Journal of Vacuum Science & Technology B, Vol.28, No.4, C5C8-C5C11, 2010
Structural and electronic properties of carbon nanocylinder consisting of nanoribbon-walls with arrayed-oxygen hinges
The authors present the prediction of novel class of materials for carbon nanotube (CNT), carbon nanopolygonal-cylinder (CNPC), which consists of walls of graphene nanoribbon (GNR) with arrayed-oxygen hinges. The rolling-up energy for CNPC, that is, the energy required to roll up the two-dimensional sheet, is drastically reduced compared with that for CNT, e.g., the rolling-up energy of 5.62 eV per unit cell (12 C atoms) for (3,3) CNT, while negligibly small for CNPC with the corresponding chirality. Electronic dispersions for pi-bands near the Fermi edge along the cylinder axis of CNPC have shapes very similar to those of GNR rather than CNT, reflecting the fact that the atomic arrangement of the walls separated by oxygen-arrays holds that of GNR. (C) 2010 American Vacuum Society. [DOI: 10.1116/1.3463148]