The binding nature, magnetic, and electronic properties of transition-metal (TM) monatomic chains anchored on boron-doped single-walled carbon nanotubes (B-SWCNTs) are studied using density-functional theory. The TM systems studied here include Au, Pt, Ru, Pd, Ag, Co, Ni, Cu, W, and Ti, which are well-known for
their technical importance. In conjunction, prototype semiconducting SWCNT(8,0) and metallic SWCNT(6,6) were chosen to model the general features of B-doped SWCNTs. It is found that the TM-strings exhibit well-defined covalent bonds with the boron-doped SWCNTs, in contrast to the pristine SWCNTs. The TMstring/
B-SWCNT composites exhibit high stability and unexpected electronic properties, which are relevant to applications in nanoelectronics, spintronics, nanocatalysis, and sensor devices.
Revised: January 7, 2011 |
Published: August 27, 2009
Citation
An W., and C.H. Turner. 2009. "Transition-Metal Strings Templated on Boron-Doped Carbon Nanotubes: A DFT
Investigation." Journal of Physical Chemistry C 113, no. 34:15346-15354. doi:10.1021/jp9052715