Interaction between glycine/glycine radicals and intrinsic/boron-doped (8,0) single-walled carbon nanotubes: a density functional theory study.

ABSTRACT: The adsorptions of a glycine molecule as well as dehydrogenated radicals on the side walls of both intrinsic and boron-doped (B-doped) single-walled (8,0) carbon nanotubes (SWCNTs) were investigated by a density functional theory. A glycine molecule tends to physically adsorb on intrinsic SWCNTs yet chemically adsorb on B-doped SWCNTs as a result of a somewhat chemical bond between the electron-rich nitrogen atom of the glycine molecule and the electron-scarce boron atom of the doped SWCNT. Opposite to the previous report (J. Phys. Chem. B 2006, 110, 6048-6050), it is found in the present study that both the N-centered and C-centered glycine radicals can form quite stable complexes with intrinsic as well as B-doped (8,0) SWCNTs. When the B-doped SWCNT interacts with glycine radicals, altho

SUBMITTER: Sun W 

PROVIDER: S-EPMC2645943 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature