Charge Transport in Molecular Wire-Effect of Orientation

Abstract

In this work, the novel method is introduced to simulate the electrical transport of nanoscale structures. We think of an open-ended quantum system (structural electrons) accelerated by the external energy from the electron and the energy that is dispersed by a small amount of heat using warm baths (electrons) operating in the electronics. We use periodic boundary conditions and use The Density Functional Theory to also eliminate the problem of multiple particles acting on a single-field field problem. By explicitly treating corruption in the electrodes, the behaviour of the powerful is the result of our approach, with variations in propagation methods based on the Landauer process.