title: Boron-doped carbon nanotubes serving as a novel chemical sensor for formaldehyde.
abstract: To search for a novel sensor to detect the presence of formaldehyde (HCOH), we investigate reactivities of the intrinsic and boron-doped (B-doped) single-walled (8, 0) carbon nanotube (SWCNT) with HCOH using density functional theory calculations. Compared with the intrinsic SWCNT, the B-doped SWCNT presents high sensitivity to HCOH. This is attributed to the strongly chemical interaction between the electron-rich oxygen atom of HCOH and the electron-scarce boron atom of the doped SWCNT. B-doped SWCNTs are expected to be a potential candidate for detecting the presence of HCOH.
authors.affiliation: Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China.
authors.forename: Ruoxi
authors.initials: R
authors.lastname: Wang
authors.forename: Dongju
authors.initials: D
authors.lastname: Zhang
authors.forename: Yuemei
authors.initials: Y
authors.lastname: Zhang
authors.forename: Chengbu
authors.initials: C
authors.lastname: Liu