Interface Structure and Electronic Properties of Graphene Oxide with Oxygen-Stripe Structures
Yu-Huang Chiu1*, Wun-Hao Kang1
1Applied Physics, National Pingtung University, Pingtung, Taiwan
* Presenter:Yu-Huang Chiu, email:airegg.py90g@nctu.edu.tw
In this work, the interface structure and electronic properties of graphene oxide, which consists of a graphene with a stripe structure of oxygen atoms, are studied by the VASP calculation. The interface between the stripe and graphene layer reveals that the bond length between two carbons, the angle between three carbon atoms, and the curvature of graphene layer are drastically changed due to the oxygen stripes. For the electronic properties, the localized structure, energy gap, and contribution of each atom strongly depend on the concentration rate of oxygen to carbon atoms. Furthermore, a conspicuously anisotropic behavior is shown when the stripe of oxygen atoms is along two different directions, the armchair and zigzag directions. The electronic properties calculated by VASP could offer experimental researchers a suggestion that which structure is the possible one in experiments.

Grant number: MOST 106-2112-M-153-002 -, MOST 106-2112-M-153-003 -


Keywords: graphene oxide, electronic properties, interface