A novel aluminum-doped carbon nanotubes sensor for carbon monoxide

作者：Wang Ruoxi; Zhang Dongju; Sun Wenqi; Han Zhe; Liu Chengbu^*

来源：Journal of Molecular Structure (Theochem), 2007, 806(1-3): 93-97.

DOI：10.1016/j.theochem.2006.11.012

• aluminum-doped
• carbon nanotube
• DFT

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.

• 出版日期2007-3-31
• 单位山东大学; 山东警察学院