Abstract
We report first-principles-based molecular dynamics simulations of the interaction between single-walled carbon nanotubes (SWCNTs) and water/SiO mixtures ("SiO steam") and "dry" SiO gas at high temperatures. Our results show that bond-breaking of circumferential C-C bonds occurs due to the formation of -Si(C2)-O- chains on the outer surface of the SWCNT along the tube direction. This process may eventually "unzip" the SWCNT along its axis to form a bilayer stack of graphene nanoribbons (GNR). Since this process does not involve chemicals which have detrimental effects on Si based electronics, it offers a safe route towards incorporating GNR into traditional CMOS devices. As no new elements are introduced, existing CMOS production equipment can be adapted with reasonable effort to integrate our proposed process. The transformation of CNT into GNR can be performed after deposition of the SWCNT at the target location on the device, allowing better control and easier processing. We propose to use treatment of SWCNTs in SiO steam to unzip them into graphene nanoribbons for CMOS/GNR integrated electronic devices.
Original language | English |
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Pages (from-to) | 343-349 |
Number of pages | 7 |
Journal | Materials Express |
Volume | 1 |
Issue number | 4 |
DOIs | |
State | Published - 2011 |
Externally published | Yes |
Keywords
- Density functional based tight binding
- Modeling
- Molecular dynamics
- Nano electronics
- Nano technology