[A1-P304] Poster 304

[A1-P304-41] Stepwise Crystal Structure Optimization of Polyacenes; How is the Layered Herringbone Packing Stabilized?

*Ryota Ono¹, Kanata Koyama¹, Satoru Inoue¹, Shunto Arai¹, Seiji Tsuzuki¹, Tatsuo Hasegawa¹ (1. The Univ. of Tokyo (Japan))

Keywords:Crystal Structure, Organic Semiconductor, Computation, Polyacene, Layered Herringbone Packing, Density Functional Theory