A Simulation of Possible Carbon Nanotubes Slitting in a CMOS Compatible Way

作者：Knaup Jan M^*; Morokuma Keiji; Irle Stephan

来源：Materials Express, 2011, 1(4): 343-349.

DOI：10.1166/mex.2011.1034

• Density Functional Based Tight Binding
• Nano Technology
• Nano Electronics
• Molecular Dynamics
• Modeling

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(C-2)-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.

• 出版日期2011-12