From Pure Carbon to Silicon-Carbon Nanotubes: An Ab-initio Study

Andreas Mavrantonakis; George E. Froudakis; M. Schnell; Max Muhlhǎuser

doi:10.1021/nl0343250

From Pure Carbon to Silicon-Carbon Nanotubes: An Ab-initio Study

Andreas Mavrantonakis, George E. Froudakis, M. Schnell, Max Muhlhǎuser

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

210 Scopus citations

Abstract

Ab initio methods are used for investigating structural and electronic properties of silicon-carbon nanotubes (SiCNTs). Tubes with different Si to C ratios were tested and the trend from C-rich to Si-rich SiCNTs is examined. Our results show that SiCNTs lose stability when the ratio of Si over C increases. Nevertheless they remain stable until the ratio reaches 50:50, and after that the Si-rich tubes collapse to nanowires or clusters with solid interiors. The electronic density of states of different SiCNTs is also presented and analyzed.

Original language	English (US)
Pages (from-to)	1481-1484
Number of pages	4
Journal	Nano letters
Volume	3
Issue number	11
DOIs	https://doi.org/10.1021/nl0343250
State	Published - Nov 1 2003

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title = "From Pure Carbon to Silicon-Carbon Nanotubes: An Ab-initio Study",

abstract = "Ab initio methods are used for investigating structural and electronic properties of silicon-carbon nanotubes (SiCNTs). Tubes with different Si to C ratios were tested and the trend from C-rich to Si-rich SiCNTs is examined. Our results show that SiCNTs lose stability when the ratio of Si over C increases. Nevertheless they remain stable until the ratio reaches 50:50, and after that the Si-rich tubes collapse to nanowires or clusters with solid interiors. The electronic density of states of different SiCNTs is also presented and analyzed.",

author = "Andreas Mavrantonakis and Froudakis, {George E.} and M. Schnell and Max Muhlhǎuser",

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T1 - From Pure Carbon to Silicon-Carbon Nanotubes

T2 - An Ab-initio Study

AU - Mavrantonakis, Andreas

AU - Froudakis, George E.

AU - Schnell, M.

AU - Muhlhǎuser, Max

PY - 2003/11/1

Y1 - 2003/11/1

N2 - Ab initio methods are used for investigating structural and electronic properties of silicon-carbon nanotubes (SiCNTs). Tubes with different Si to C ratios were tested and the trend from C-rich to Si-rich SiCNTs is examined. Our results show that SiCNTs lose stability when the ratio of Si over C increases. Nevertheless they remain stable until the ratio reaches 50:50, and after that the Si-rich tubes collapse to nanowires or clusters with solid interiors. The electronic density of states of different SiCNTs is also presented and analyzed.

AB - Ab initio methods are used for investigating structural and electronic properties of silicon-carbon nanotubes (SiCNTs). Tubes with different Si to C ratios were tested and the trend from C-rich to Si-rich SiCNTs is examined. Our results show that SiCNTs lose stability when the ratio of Si over C increases. Nevertheless they remain stable until the ratio reaches 50:50, and after that the Si-rich tubes collapse to nanowires or clusters with solid interiors. The electronic density of states of different SiCNTs is also presented and analyzed.

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JO - Nano letters

JF - Nano letters

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From Pure Carbon to Silicon-Carbon Nanotubes: An Ab-initio Study

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