| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2016: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2015: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
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| Outline of Final Research Achievements |
Graphoepitaxy is an artificial epitaxial thin film growth on the substrate surfaces with artificial microstructures. Although we reported the graphoepitaxy of organic semiconductor molecules in 2006, the mechanism of the in-plane oriented growth has not been clarified. In this study, molecular dynamics (MD) simulations were applied to the elucidation of the initial processes of the organic graphoepitaxy at the molecular level. First, the models of the grooved substrates were made and behavior of organic semiconductor molecules in the groove was simulated. By MD simulations, in-plane orientations observed in the experiments were reproduced. Furthermore, the overall processes including deposition and crystallization were also reproduced in MD simulations. MD simulations worked well to visualize the movement of individual molecules and to clarify how the orientations of crystals are arranged and adjusted to the edge of the microgrooves.
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