Ordering of poly(3-hexylthiophene) nanocrystallites on the basis of substrate surface energy.

Abstract

Molecular dynamics simulations are used to study the influence of functionalized substrates on the orientation of poly(3-hexylthiophene) (P3HT) nanocrystallites, which in turn plays a critical role in P3HT-based transistor performance. The effects of alkyl-trichlorosilane self-assembled monolayer packing density, packing order, and end-group functionality… (More)
DOI: 10.1021/nn800707z

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