Electronic properties of hydrogenated monolayer and bilayer graphenes
Che-Chang Kuo1*, Yu-Tsung Lin1, Yu-Huang Chiu2, Ming-Fa Lin1
1Department of Physics, National Cheng Kung University, Tainan, Taiwan
2Department of Applied Physics, National Pingtung University, Pingtung, Taiwan
* presenting author:Che-Chang Kuo, email:tt9712122@gmail.com
Hydrogenated monolayer and bilayer graphenes exhibit unique electronic properties, being explored in detail using the first-principle calculations. For the high hydrogen concentration, they are metals with many free carriers except for the double-side functionalized monolayer graphene with a large energy gap. The dramatic changes in energy bands include the destruction of Dirac cone, the created (C,H)-dominated low- and middle-energy bands, and a lot of extra band-edge states.
A plenty of special shoulders and peaks are revealed in density of states. All the main features come from the competition or cooperation among the orbital bondings in the C-C and C-H bonds, as indicated from the atom-dominated band structure, the charge distribution and the orbital-projected density of states.


Keywords: Hydrogenated monolayer, Bilayer graphenes, Hydrogen adsorbed graphene, First-principle calculations