Journal
LIQUID CRYSTALS
Volume 45, Issue 13-15, Pages 2086-2096Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/02678292.2018.1512666
Keywords
Organic semiconductors; discotics; charge transport; filamentary transport
Funding
- Horizon 2020 Framework Programme [646176]
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We study the charge transport properties of a system of liquid crystal discotic molecules in two distinct phases. To differentiate between the two phases, we use a self-consistent model that describes the pairwise interaction between molecules, the electronic coupling between them and the difference in orbital energies. This multi-scale approach hinges upon having systems that are both accurate (to within atomic resolution) and large (similar to 10,000 molecules). The two phases have dramatically different charge transport network topologies, directly correlated to their molecular structures. We quantify the charge transport on both a macroscopic and microscopic scale, taking advantage of the model's resolution to understand the role ofmolecular packing in charge transport. [GRAPHICS] .
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