Boron-Doped Carbon Nanotubes Serving as a Novel Chemical Sensor for Formaldehyde

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• 作者：Ruoxi Wang ; Dongju Zhang ; Yuemei Zhang ; Chengbu Liu
• 刊名：Journal of Physical Chemistry B
• 出版年：2006
• 出版时间：September 21, 2006
• 年：2006
• 卷：110
• 期：37
• 页码：18267 - 18271
• 全文大小：237K
• 年卷期：v.110,no.37(September 21, 2006)
• ISSN：1520-5207

文摘

To search for a novel sensor to detect the presence of formaldehyde (HCOH), we investigate reactivities ofthe intrinsic and boron-doped (B-doped) single-walled (8, 0) carbon nanotube (SWCNT) with HCOH usingdensity functional theory calculations. Compared with the intrinsic SWCNT, the B-doped SWCNT presentshigh sensitivity to HCOH. This is attributed to the strongly chemical interaction between the electron-richoxygen atom of HCOH and the electron-scarce boron atom of the doped SWCNT. B-doped SWCNTs areexpected to be a potential candidate for detecting the presence of HCOH.