[16a-B5-1~13] 12.1 Fabrications and Structure Controls

[16a-B5-6] Molecular Dynamics Simulations of Organic Graphoepitaxy 3 – Simulations of the Deposition Process of Molecules –

〇Susumu Ikeda¹ (1.WPI-AIMR, Tohoku Univ.)

Keywords:graphoepitaxy, organic semiconductor, molecular dynamics simulations

Some results of molecular dynamics (MD) simulations reproducing the graphoepitaxy of organic semiconductor sexithiophene (6T) molecules were reported in the last two JSAP meetings. This time, the dynamic deposition process of 6T molecules was simulated by MD. The results of the simulations using two kinds of substrates, with hydrophilic surface and hydrophobic one, showed the difference of the deposited structure of the molecules. It is suggested that the variation in in-plane orientation of 6T crystalline thin films depending on the surface conditions observed in experiments was probably caused by the difference in arrangement of the molecules formed at the early stage of the deposition process.