Participating Group (2020-2021)
Analyses and Development of Functional of Soft Crystals with Molecular Domino Transformation
Co-Researcher: Satoshi Watanabe (Kumamoto University, Assistant Professor)
Co-Researcher: Norihisa Hoshino (Tohoku University, Assistant Professor)
Since Elastically Deformable Organic Crystals (Elastic Organic Crystals) have a function as an entropic elasticity which has not been available in organic crystals, it is possible to provide new material innovation that cannot be achieved by polymer materials. I focused on the slight movement of π-conjugated molecules in the crystal structure and developed a large number of elastically deformable functional organic crystals (soft crystals). By studying such deformable crystals with optoelectronic functionalities, I have discovered various phenomena such as deformation-induced photoluminescence changes and flexible optical waveguide applications. Based on these works, we aim to create new soft crystals by predicting the crystal structure by molecular and crystal simulation, elucidate the basic principle of the phenomenon by devising large-scale DFT simulation and new analysis methods, and further applications of soft crystal composites.