Theoretical calculations of structures and properties of one-dimensional silicon-based nanomaterials: Particularities and peculiarities of silicon and silicon-containing nanowires and nanotubes

Among various nanomaterials, one-dimensional silicon-based nanomaterials occupy a very important place because of their unique mechanical, thermal, optical, electrical, and optoelectronic properties, and potential technological applications. Herein, we review the recent theoretical calculations of the structures and properties of silicon-based nanowires and nanotubes, with special emphasis on the particularities and peculiarities of silicon and silicon-containing nanowires and nanotubes. These calculations allow not only rationalization of the observed experimental results, but also predictions of the yet-unknown nanostructures and their unusual properties. © 2009.