A novel aluminum-doped carbon nanotubes sensor for carbon monoxide

in order to explore a novel sensor to detect the gaseous molecules, we investigate reactivities of the intrinsic and aluminum doped (Al-doped) single-walled (8,0) carbon nanotube (SWCNT) with CO using density functional theory (DFT) calculations. The M-doped SWCNT presents high sensitivity to CO, compared with the intrinsic SWCNT, as indicated by the calculated geometrical structures and electronic properties for these systems. M-doped SWCNTs are expected to be a potential candidate for detecting the presence of CO. (c) 2006 Elsevier B.V. All rights reserved.