Article

A spectroscopic and ab initio study of the formation of graphite and carbon nanotubes from thermal decomposition of silicon carbide.

INFM-DEMOCRITOS National Simulation Centre and Centre of Excellence for Nanostructured Materials, University of Trieste, Italy.
Nano Letters (impact factor: 13.2). 01/2009; 8(12):4335-41. DOI:10.1021/nl8021626 pp.4335-41
Source: PubMed

ABSTRACT We report an experimental and first-principles study of the thermal decomposition of 6H-SiC wafers, yielding graphite on the Si-terminated face and carbon nanotubes on the C-terminated face. The asymmetry of the carbon structure formation mechanisms is rationalized in terms of the different termination geometries of the opposite SiC faces. First-principles modeling reveals that horizontal, xr-delocalized carbon structures form on the Si-terminated face. The bonding network geometry of the C-terminated face favors instead the formation of vertically oriented carbon structures, which can be interpreted as nanotube lateral wall precursors.

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Keywords

asymmetry
 
bonding network geometry
 
C-terminated face
 
carbon structure formation mechanisms
 
carbon structures
 
First-principles modeling
 
first-principles study
 
horizontal
 
nanotube lateral wall precursors
 
Si-terminated face
 
vertically
 
xr-delocalized carbon structures form