Modelling and simulation of carbon nanotubes (CNT) for nanoelectronics device applications

Our aim is to model carbon nanotubes using Atomistix Tool Kit (ATK) software and simulate it. The CNT is designed toward fabrication of two-port and/or a three-port molecular electronic devices (FET). CNT design is functionalized with suitable molecules so that the functionalization of cnt as a logic citcuit is achieved by theroetical analysis for electronic transport, effect of gate potential, optimization of geometry, functionalization of different molecules,in particular transmission spectrum and I–V Characteristics are studied in detail.