Presentation Information

[A1456-2am-06]Theoretical study on mechanisms of N2 production from N-doped graphenes under temperature-programmed desorption analysis

○Shin Imamura1, Hiroki Uratani2, Shunsuke Shimizu3, Takeharu Yoshii3, Hirofumi Sato2,4 (1. Faculty of Engineering, Kyoto University, 2. Graduate School of Engineering, Kyoto University, 3. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 4. Fukui Institute for Fundamental Chemistry, Kyoto University)

Keywords:

Quantum chemical calculations,Nitrogen-Doped Graphene,Stone–Wales Transformation