Structural stability and aromaticity of graphene nanoflakes

Akira Akaishi; Makoto Ushirozako; Haruyuki Matsuyama; Jun Nakamura

Presentation information

Oral presentation

17 Nanocarbon Technology » 17.1 Carbon nanotubes & other nanocarbon materials

[7a-C11-1~12] 17.1 Carbon nanotubes & other nanocarbon materials

Thu. Sep 7, 2017 9:00 AM - 12:15 PM C11 (Office 1)

Hiromichi Kataura(AIST), Takahiro Yamamoto(Tokyo Univ. of Sci.)

10:15 AM - 10:30 AM

[7a-C11-6] Structural stability and aromaticity of graphene nanoflakes

〇Akira Akaishi^1,2, Makoto Ushirozako^1,2, Haruyuki Matsuyama^1,2, Jun Nakamura^1,2 (1.Univ. of Electro-Communications, 2.JST-CREST)

Keywords:graphene, edge states, aromaticity

We have examined the relationship betwen the structural stability and the aromaticity for graphene nanoflakes(GNFs). The existence of the edge states at zigzag edges of GNFs make the system unstable. For armchair-edge GNFs, the aromaticity dominates the structural stability. Even for N/B-doped GNFs, we have found strong correlations between the stability and the aromaticity.