[P] P14~P18

[P18] First-principles study on ion intercalation in twisted bilayer graphene

*Yebin LEE¹, Kiyou SHIBATA², Teruyasu MIZOGUCHI² (1. Sch. Eng., The Univ. Tokyo, 2. IIS, The Univ. Tokyo)

Keywords:Twisted bilayer graphene、Ionics、Intercalation、Diffusion

Relative energies of intercalated ion in AA- and AB-stacked BLG and tBLG were compared and the potential energy surface of tBLG for various twist angles and ions were systematically calculated.