Extended electronic states above metal-doped carbon nanostructures

摘要

Spatially extended electronic states formed above metal atoms covalently attached to carbon nanostructures are presented by ab initio calculations. These extended states are largely composed of the unpopulated 5-6s atomic orbitals of the metal atom. They could be manipulated by electric and optical fields and used in electron emission. The metallic sites can also facilitate binding and releasing of ions, atoms, and molecular ligands, so the structures can serve as "atomic nanotools."