| AVS 58th Annual International Symposium and Exhibition | |
| Graphene and Related Materials Focus Topic | Tuesday Sessions |
| Session GR+MI-TuA |
| Session: | Graphene: Magnetic Properties and Spin-Dependent Phenomena |
| Presenter: | Sergiy Bubin, Vanderbilt University |
| Authors: | S. Bubin, Vanderbilt University K. Varga, Vanderbilt University |
| Correspondent: | Click to Email |
In the framework of real-time real-space time-dependent density functional theory (TDDFT) we have studied coupled electron-ion dynamics in small fragments of graphene, graphane, and fluorinated graphene subjected to short (a few femtoseconds) intense laser pulses or irradiated by energetic ions. The goal of this study is to investigate the possibility of defect creation in graphene and desorption of hydrogen/fluorine from graphene surface. We will present the results of our simulations, discuss the mechanisms that take place, and identify the parameters of the laser or energetic ions necessary for those processes to occur.