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Nano-wire formation...
Nano-wire formation by self-assembly of silicon-metal cage-like molecules
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- Gueorguiev, Gueorgui Kostov, 1968- (författare)
- Linköpings universitet,Tekniska högskolan,Tunnfilmsfysik
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- Stafström, Sven, 1957- (författare)
- Linköpings universitet,Tekniska högskolan,Beräkningsfysik
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- Hultman, Lars, 1960- (författare)
- Linköpings universitet,Tekniska högskolan,Tunnfilmsfysik
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(creator_code:org_t)
- Elsevier BV, 2008
- 2008
- Engelska.
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 458:1-3, s. 170-174
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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. © 2008 Elsevier B.V. All rights reserved.
Nyckelord
- NATURAL SCIENCES
- NATURVETENSKAP
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