Forth–back oscillated charge carrier motion in dynamically disordered hexathienocoronene molecules: a theoretical study

K. Navamani, K. Senthilkumar
  • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry
  • DOI: 10.1039/c5cp02189h

Forth-Back Oscillated Charge Carrier Network in Dynamically Disordered Molecules

What is it about?

The site energy gap fluctuations in the dynamically disordered system control the forth and back oscillations of charge carrier which is responsible for unidirectional charge transport mechanism, and is monitored by kinetic Monte Carlo simulation. The number of forward and backward oscillations and probability for forward and backward oscillations are calculated from the kinetic Monte Carlo simulation and are used to study the dynamics of the charge carrier along the pi-stacked molecules.

Why is it important?

In this study, we have hypothetically formulated the forth-back oscillated diffusion coefficient to examine the charge transfer kinetics in the dynamical systems. Theoretical results show that the site energy difference in the dynamically disordered system controls the forth–back oscillation of charge carrier and facilitates the unidirectional charge transport mechanism along the sequential localized sites.

Perspectives

Dr. K. Navamani
Jawaharlal Nehru Centre for Advanced Scientific Research

This study clearly emphasis that the site energy difference in the dynamically disordered system is acting as the driving force for unidirectional charge carrier propagation.

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http://dx.doi.org/10.1039/c5cp02189h

The following have contributed to this page: Dr Kittusamy Senthilkumar and Dr. K. Navamani