Theoretical Modeling of Charge Transport in Organic Solids and Few Implications for Devices

What is it about?

1) From our proposed model, it has been noted that the inter-crossing concept of coherent to incoherent transport due to dynamic to static disorder conversion, with the aid of applied electric field. 2) We observe that there is a deviation of Einstein's classical diffusion–mobility relation, which is confirmed by ideality factor (here the obtained ideality factors are in between 1.8 and 2.0). 3) We find the possible enhancement of recombination mechanism via 'electric field stretched dispersion and its consequence of charge trapping'.

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Why is it important?

We have proposed the carrier drift energy-current density expression for current density measurement in disordered systems (e.g., molecules and polymers). Also, we model the momentum-energy redistribution to analysis the drift-diffusion transport. Using this model, the coupled effect of disorder and electric field on electronic transport in organic molecules was studied. Theoretical results suggest the limitation of Einstein diffusion equation under electric field conditions, which is verified by multi-scale modeling study, (DFT+MD+KMC).

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