A. Jagota. , M. Zheng#, Y-M. Chiang+, S. V. Rotkin. , C. Kiely

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Presentation transcript:

Solution-Based Dispersion, Sorting, and Placement of Carbon Nanotubes (NIRT/GOALI) A. Jagota*, M. Zheng#, Y-M. Chiang+, S.V. Rotkin*, C. Kiely* (PI’s; Program Officer: Jimmy K. Hsia) W.C. Carter+, R.S. McLean#, C-Y. Hui@, S. Lustig#, R.H. French#, T. Tang& C. Khripin*, R. Rajter+, S. Snyder*, S. Suresh*, Deping Xue* *Lehigh University; #DuPont; +MIT; @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 CNT’s 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)