Nano-wire formation by self-assembly of silicon-metal cage-like molecules

Nano-wire formation by self-assembly of silicon-metal cage-like molecules. Gueorguiev, G., Stafstr�m, S., & Hultman, L. Chemical Physics Letters, 458(1-3):170–174, June, 2008.

Paper doi abstract bibtex

By using DFT calculations we show that nano-wires consisting of endohedral MSi12 cage-like molecules are stable especially for light transition metal elements (M�=�Fe, Ni, Co, Ti, V, and Cu). The nano-wire assemblies are stabilized by the metal atoms located along their principal axes and can be seen as close Si-based analogues of C nanotubes, but with hexagonal cross-section due to the D6h-symmetry of their MSi12 building blocks. Independently on M, with the increase in the length of a (MSi12)m nano-wire, its HOMO-LUMO gap decreases gradually. The metallic behavior of (MSi12)m defines them as possible conductive components for self-assembled nano-devices.

@article{gueorguiev_nano-wire_2008,
	title = {Nano-wire formation by self-assembly of silicon-metal cage-like molecules},
	volume = {458},
	url = {http://www.sciencedirect.com/science/article/B6TFN-4SD29TN-4/1/b469225090c2fb60d4d9cccc32c8f082},
	doi = {10.1016/j.cplett.2008.04.108},
	abstract = {By using DFT calculations we show that nano-wires consisting of endohedral MSi12 cage-like molecules are stable especially for light transition metal elements (M�=�Fe, Ni, Co, Ti, V, and Cu). The nano-wire assemblies are stabilized by the metal atoms located along their principal axes and can be seen as close Si-based analogues of C nanotubes, but with hexagonal cross-section due to the D6h-symmetry of their MSi12 building blocks. Independently on M, with the increase in the length of a (MSi12)m nano-wire, its HOMO-LUMO gap decreases gradually. The metallic behavior of (MSi12)m defines them as possible conductive components for self-assembled nano-devices.},
	number = {1-3},
	urldate = {2008-06-26},
	journal = {Chemical Physics Letters},
	author = {Gueorguiev, G.K. and Stafstr�m, S. and Hultman, L.},
	month = jun,
	year = {2008},
	pages = {170--174},
}

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