A simulation of possible carbon nanotubes slitting in a CMOS compatible way

Jan M. Knaup, Keiji Morokuma, Stephan Irle

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Pages (from-to)343-349
Number of pages7
JournalMaterials Express
Volume1
Issue number4
DOIs
StatePublished - 2011
Externally publishedYes

Keywords

  • Density functional based tight binding
  • Modeling
  • Molecular dynamics
  • Nano electronics
  • Nano technology

Fingerprint

Dive into the research topics of 'A simulation of possible carbon nanotubes slitting in a CMOS compatible way'. Together they form a unique fingerprint.

Cite this