Charge Transport in Dynamically Disordered Molecular Systems: Role of Degeneracy
What is it about?
The existence of degeneracy levels by dynamic disorder promotes the delocalization of charge carrier and charge transfer kinetics which is numerically characterized by disorderly varying energy dispersion equation, and orbital splitting rate through density functional theory, molecular dynamics and kinetic Monte Carlo simulations.
Why is it important?
We have explored the dynamic disorder dependent density flux and charge diffusion through dynamic disorder coupled energy dispersion equation, which was verified, with the aid of DFT and numerical simulations, for some molecular systems.
The following have contributed to this page: Dr Kittusamy Senthilkumar and Dr. K. Navamani
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