Past REU Participants & Project Pages

2006 REU Porjects
2006 REU Projects
2006 Participant: Darren Walters
Project Title: Toy Modelling of Molecular Conduction through Alkanethiol
Molecules Between Gold Contacts


Faculty Advisor:Professor Avik Ghosh
Introduction:
As technology continues to advance on a daily basis, more emphasis is placed upon molecular electronics as a way further Moore’s Law by placing more transistors on a single chip. Models for molecular conduction continue to become more complex with the inclusion of the Non-Equilibrium Green’s Theorem and of a self-consistent field. Simple I-V curves, such as for Alkanethiols, should be able to be fit by simpler models. In this project, scattering is added to a simple toy model in order to fit experimental data and supply a basic understanding of molecular conduction through simple insulators using scalar values in favour of complex matrices.
Conclusion:
The results show that in order to get a good fit to the experimental data, scattering must be included. To get to the scale needed with MolCToy on the NanoHub it is impossible to have the broadening necessary to properly fit the experimental data. This problem was solved with the addition of scattering. Using scattering, the steep change in current around the on-set voltage is smoothed out. The model also has multiple fits as N and ? exist in a linear relationship.
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