The electronic and optoelectronic properties of molecular semiconductor thin films are directly linked to nanoscale structural characteristics such as domain size and spatial distributions. In films prepared by solution-phase deposition techniques such as spin casting and solvent-based printing, morphology is governed a complex interrelated set of thermodynamic and kinetic factors that classical models fail to adequately capture, leaving them unable to provide much insight, let alone predictive design guidance for tailoring films with specific nanostructural characteristics. We describe a comprehensive treatment of solution-based film formation enabling quantitative prediction of domain formation rates, coverage, and spacing statistics based on a small number of experimentally-measureable parameters. The model combines a mean-field rate equation treatment of monomer aggregation kinetics with classical nucleation theory and a supersaturation-dependent critical nucleus size to solve for the quasi-two-dimensional temporally- and spatially-varying monomer concentration, nucleation rate, and other properties. Excellent agreement is observed with measured nucleation densities and inter-domain radial distribution functions in polycrystalline tetracene films.

Quantitatively predicting nanoscale domain morphology in solution-processed organic thin films

256th National Meeting (2018)

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