Simulations of metal nanowires



First-principles calculations of the electronic structure of silver infinite nanotubes, chains, and nanowires are reported. For the purpose of this study, the focus is on two specific types of silver nanostructure. We have calculated the electronic structures for the silver (2,3) and the silver (3,4) extended nanostructures. For the (2,3) structure, we modeled the single-walled tube, and for the (3,4) structure, we modeled the hollow single-walled tube, as well as the tube with a linear chain inserted along the tube axis. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005