Graphene oxide and reduced graphene oxide attract a lot of attention due to graphene provides some properties that suitable for wider application. Properties of graphene are unique since it can be tuned regarding to its controlled synthesis method and several treatments. This work, graphene oxide was synthesized from used graphite electrode by modified Hummer’s method in which oxidation process controlled. Zinc was used to produce reduced graphene oxide. Graphene oxide and reduced graphene oxide were characterized by SEM, EDS, FT-IR, UV-vis, and XRD. Effective strategy was studied to produce graphene oxide and reduced graphene oxide by controlling its oxidation process. These results prove that chemical and structural properties of graphene oxide and reduced graphene oxide depend on oxidation duration. Furthermore, carbon/oxygen ratio was studied to evaluate effective oxidation process.

We investigate the effect of boron dopant on the charge transfer and reaction pathways of hydrogenated graphene based upon density functional theory calculation. We focused on the particularly the charge transfer rate of trimer hydrogen adsorption and its reaction pathways. Firstly, we investigated the effect of B dopant on the pristine graphene which is revealed that B-C bond length prior to hydrogenation is around 1.49 Å resulting the deformed structure of graphene since the size of boron is a bit larger that carbon atom. We have also calculated the charge transfer (CTR) from hydrogen to carbon atom after boron subtitution, we found that there is an increasing the CTR with respect to the pristine graphene indicated that the strong bond length between hydrogen and carbon.

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We investigated the effect of nitrogen dopant on the charge transfer rate (CTR) and reaction pathways of hydrogen molecule dissociation on graphene and nitrogen-doped graphene based upon first principle calculation. We found that the nitrogen atom form covalent bonds with the carbon atoms with bond length of C-N of 1.41 Å. The geometry optimization results in nitrogen doped pristine graphene revealed that nitrogen pulled downward the nearest neighbor of carbon atom, thus the structure is a bit downward. We found the charge transfer rates from hydrogen to carbon atom is decrease with respect to pristine graphene and nitrogen doping also can decrease the activation barrier of hydrogen molecule dissociation on graphene surfaces.