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

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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.

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Keywords: DENSITY FUNCTIONAL BASED TIGHT BINDING; MODELING; MOLECULAR DYNAMICS; NANO ELECTRONICS; NANO TECHNOLOGY

Document Type: Research Article

Publication date: December 1, 2011

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  • Materials Express is a peer-reviewed multidisciplinary journal reporting emerging researches on materials science, engineering, technology and biology. Cutting-edge researches on the synthesis, characterization, properties, and applications of a very wide range of materials are covered for broad readership; from physical sciences to life sciences. In particular, the journal aims to report advanced materials with interesting electronic, magnetic, optical, mechanical and catalytic properties for industrial applications.
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