Presentation Information

[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.