SolutionBased Dispersion, Sorting, and Placement of Carbon Nanotubes NIRTGOALI

1
Solution-Based Dispersion, Sorting, and Placement
of Carbon Nanotubes (NIRT/GOALI)
A. Jagota, M. Zheng, Y-M. Chiang, S.V.
Rotkin, C. Kiely (PIs Program Officer Jimmy
K. Hsia) W.C. Carter, R.S. McLean, C-Y. Hui_at_,
S. Lustig, R.H. French, T. Tang C. Khripin,
R. Rajter, S. Snyder, S. Suresh, Deping
Xue Lehigh University DuPont MIT _at_Cornell
University University of Alberta
Solution Based Processing of Carbon Nanotubes
Separation by Anion Exchange Chromatography
Optical properties of single-wall nanotube DNA
hybrids
Design of New Ion-Exchange Resins

• Band strucure of DNA-wrapped SWNTs
• Numerical method for modeling symmetry lowering
  in DNA-SWNT hybrids.
• Self-consistent charge density
• Polarization interaction between the DNA
  phosphate groups and the induced
  (self-consistent) charge on the SWNT
• Helical symmetry-breaking results - appearance of
  intrinsically forbidden optical transitions in
  perpendicular polarization.
• Symmetry-breaking is predicted to result in
  strong circular dichroism.

• Strategy Control of
• Pore structure
• Polymer ion-exchange chain length and density
• Hydrophobicity.
• Non-porous polystyrene/divinyl benzene (PS/DVB)
  particles as the substrate for synthesizing
  ion-exchangers.

Raw Material
Applications

• Goals
• Place carbon nanotubes at a given location on a
  substrate with prescribed density and
  orientation.
• Sort a heterogeneous sample of carbon nanotubes
  into all its constituent types.
• Design experimental conditions for controlled
  placement and separation.
• Predict DNA-CNT structure given DNA sequence and
  CNT type.

Zheng Semke, JACS (2007)
,

• Vadim Puller and Slava V. Rotkin, Europhysics
  Letters 77 (2), 27006--1-6 (Jan 2007).
• Stacy E. Snyder and Slava V. Rotkin, JETP Letters
  84 (6), 348-351, (Pis'ma v ZhETF 84 (6),
  411-415), (2006).
• Alexey G. Petrov, Slava V. Rotkin, JETP Letters
  84 (3), 156-160 (Pis'ma v ZhETF 84 (3), 185-189),
  (2006).
• Vadim Puller, and Slava V. Rotkin, in
  Nanomodeling, Akhlesh Lakhtakia, Sergey A.
  Maksimenko, Editors Proceedings of SPIE, vol.
  6328, 63280D, 2006.
• T. Tang, A. Jagota, Journal of Computational and
  Theoretical Nanotechnology accepted (2007).

What governs adhesion between DNA a CNT?Is
there an optimal wrapping geometry?
van der Waals interactions of CNTs
Deposition and Alignment
(ns)
Meniscus Alignment
Several Bases Un-Stack

Contributing Terms in the formation of
hybrid Adhesion Entropy loss of DNA
backbone Electrostatics Bending and torsion of
DNA backbone Deformation of CNT Base-Base
Stacking Hydrogen bonding
Case I Case II
Unstacked BAse
Stacked Base
Liquid Crystal Hypothesis
Minimized
Equilibrated at 300K
Reduction of Effective Adhesion Energy
free energy density

• R.F. Rajter et al. Journal of Applied Physics 101
  054303 (2007).
• R.F. Rajter et al. Physical Review B (2007).

R.S. McLean et al. Nanoletters, 6 1 55-60
(2006) C. Khripin, A. Jagota, T. Tang J. Phys.
Chem. B (in the press)
S. Manohar, Tian Tang, Anand Jagota, J. Phys.
Chem. B, (2007)