A First-Principles Investigation on Deformation of Graphene and Related Materials

Graphene and related materials have been attracted many interests since 2004, because of their unique physical properties and the great flexibility in the device design. The superior properties of graphene are determined by the band structure in the low energy region. How to modify the band structure in the low energy region of graphene and related material are the key role for modulating the electronic properties and should be very useful in devices design. Mechanical deformation is recognized as one of the powerful methods for band modulation. In this three years project, I proposed to investigate the deformation of the graphene and related materials including the biaxial strain on few layer graphene and the physical properties of the folded graphene nanoribbon. The calculations will be performed by the first-principles method based on the density functional theory. In the first year, the biaxial strains on few graphene will be studied. The physical properties of single folded and multiple folded graphene nanoribbon will be explored in the second and third year, respectively.

Project ID:PA10301-0450
External Project ID:NSC102-2112-M182-002-MY3