Organic semiconductors, metal oxides, and nanomaterials hold promise as the future basis for efficient, cost-effective, large scale optoelectronic devices. This tool computes the transient and steady-state charge and exciton distributions in devices composed of a sequence of planar, distinct layers of semiconductor and nanostructured materials.
The model utilizes a rate equation formalism based upon the idea of hopping across a one-dimensional chain of atoms and molecules. In the limit of low field and a narrow, the model is equivalent to the drift-diffusion equations. The advantage of the rate equation formalism lies in its generalizability; various injection models, Foerster resonant energy transfer, interfacial recombination, and tunneling can be studied within this framework.
The accuracy of simulation results is subject to the approximations involved, so effects like percolation and self-trapping in three-dimensions are not included. The simulation is meant to serve as an educational tool to develop intuition and to provide back-of-the envelope estimations for researchers in the field of where charges and excitons build up in nanostructured optoelectronic devices. Any results should be checked with a full Monte Carlo transport model before publication.
SciPy, Cython, C++, and the GNU Scientific Library
Polina Anikeeva, Jeff Grossman, Vladimir Bulovic, Alexi Arango, and Vanessa Wood
ENI, The National Science Foundation
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