Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives
- 25 September 2006
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 125 (12), 124902
- https://doi.org/10.1063/1.2354156
Abstract
Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations between the molecular structure, packing, and dynamical properties of these materials are established.Keywords
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