Density functional theory investi gation of interaction between single-walled car bon nanotube and amino acids

Single -walled carbon nanotubes (SWC NTs) have been shown to have unique electronic, thermal, optical, mechanical and transpo rt propertie s, which pl ay a important role in their intera ction into nanotechnological devices [۱-۳]. Their intera ction prop erties with other comp ounds are the main elem ent in many application s involving CNTs such as biocompatible agents and functio nalized ele ments. Intera ction of biological mole cules with CNTs shows their applications in the field of biomedical m aterials and devices special in dru g delivery. These applications of carbon nanotu bes depend upon the nature of interaction between CNTs with biolog ical molecu les. Covalent function alization of carbon nanotube with alanine [۴] were reported recently.In th e present w ork, we have investigated the interaction of a zig-zag sing le-walled carbon nanot ube (۶,۰) with amino acids glycin e, histidine and alanine by using d ensity functional theory (DFT) calculations.

کلیدواژه ها:

Carbon Nanotub e ، Glycine ، Histidine ، Alanine ، Adsorption ، DFT