Self-assembly of DNA on a gapped carbon nanotube. Academic Article uri icon


  • We perform molecular dynamics simulations to analyze the wrapping process of a single-stranded (ss) DNA around a gapped CNT immersed in a bath of water. We observe the formation of a stable molecular junction with the ssDNA adopting a helical or circular conformation around one CNT electrode and a linear conformation around the opposite electrode. We find that DNA undergoes several conformational changes during equilibration of the self-assembled molecular junction. This process would allow a higher yield of successful CNT-DNA interconnections, which constitutes a novel structure of interest in chemical and biological sensing at the single-molecule level.

published proceedings

  • J Mol Model

author list (cited authors)

  • Bobadilla, A. D., & Seminario, J. M.

citation count

  • 8

complete list of authors

  • Bobadilla, Alfredo D||Seminario, Jorge M

publication date

  • July 2012