Theoretical and computational study of the electron transport in carbon based systems

Abstract

Nowadays, the miniturization of the electronic devices is one of the main challenges of the technological industry. The development of nano-devices is hindered by the limitation of the fabrication techniques and the lack of knowledge about the electron transport processes which are essential for its operation. This fact makes the quantum chemistry and interesting tools for the study of this molecular processes and for the development of useful models in order to the design this components. One of the main needs for the development of a electronic device is that its controllable electronic transport. A great example can be found in biomolecules such as the proteins and nucleic acids, in which the transference processes must be efficient, as there are involved in several biological processes such as the cellular respiration and damage response in the DNA. Searching for the analogy of this systems will allow the development of devices with the size and properties required. Therefore, the main target of this project is the study of the electron transport in biological and its extrapolation to useful models for the industry.