Serbian Journal of Electrical Engineering (Jan 2013)

Monte Carlo simulations of crystalline organic semiconductors

  • Mladenović Marko,
  • Stanković Igor

DOI
https://doi.org/10.2298/SJEE1301125M
Journal volume & issue
Vol. 10, no. 1
pp. 125 – 134

Abstract

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Molecular model for crystalline organic semiconductors based on small molecules is implemented in three-dimensional Monte Carlo simulations. In this paper results for naphthalene are presented. Molecular structure is considered in two configurations: within a single monocrystal and in vicinity of interface between two monocrystals with different crystalline orientations.

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