DFT study on the adsorption of Leucine and Isoleucine aliphatic amino acids on Pd doped single-walled carbon nanotube

The function of proteins in cellular conditions depends on the chemical and physicalcharacteristics of noncovalant interactions of amino acids. Carbon nanotubes (CNTs)illustrate promising analytical applications due to their extra ordinary mechanical, electrical,thermal and chemical properties [1]. The adsorption of amino acids on CNTs would result inthe perturbation in their electronic structure and change the conductance of CNTs. Transitionmetal doped single-walled carbon nanotubes (SWCNT) could enhance their application inmolecular electronics such as sensors [2]. In this study, the adsorption of two aliphatic aminoacids on Pd/SWCNT was investigated via different initial stable configurations.