《Interaction of valine and valine radicals with single-walled carbon nanotube》.pdf

Accepted Manuscript Interaction of valine and valine radicals with single-walled carbon nanotube (5, 0) M. Rajarajeswari, K. Iyakutti, Y. Kawazoe PII: S0009-2614(11)00725-1 DOI: 10.1016/j.cplett.2011.06.032 Reference: CPLETT 29371 To appear in: Chemical Physics Letters Received Date: 14 May 2011 Accepted Date: 13 June 2011 Please cite this article as: M. Rajarajeswari, K. Iyakutti, Y. Kawazoe, Interaction of valine and valine radicals with single-walled carbon nanotube (5, 0), Chemical Physics Letters (2011), doi: 10.1016/j.cplett.2011.06.032 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Interaction of valine and valine radicals with single-walled carbon nanotube (5, 0) 1 1,* 2 M. Rajarajeswari , K. Iyakutti and Y. Kawazoe 1School of Physics, Madurai Kamaraj University, Madurai, Tamil Nadu 625 021, India. 2Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan. *Corresponding author Tel: +91 452 2458471 - 390 E-mail: iyakutti@yahoo.co.in 1 Abstract We have investigated the adsorption of hydrophobic amino acid valine/valine radicals with carbon nanotube (5, 0) using density functional theory. Non-covalent interaction of valine with the nanotube exhibits differential binding strength with respect to the functional group of valine pr