Metal doped armchair graphene nanoribbons: electronic structure, carrier mobility and device properties

• DOI: 10.1039/c8cp06471g
• Publication Date: 2018-12-20T03:04:16Z
• Authors: J. N. Han; X. He; Z. Q. Fan; Z. H. Zhang
• Keywords: Electron Mobility

Functionalizing graphene to develop on-demand nanodevices is highly desirable, but still remains challenging. Here, we theoretically propose the functionalization of armchair nanoribbons by low-concentration metal (M) atom (M = Ti, Ni, Sn, or Hg) doping and investigate structural stability electronic behaviors these doped systems in depth. The calculated binding energy formation as well molecular dynamics simulation show that geometries hybridized ribbons are rather stable. With doping, present rich flexibly tunable bandgaps, depending on position, which can be attributed newly emerged subbands near Fermi level entire band structure shifting upward due increased electron number ribbon donated from dopant. These bandgaps also further tuned substantially stress. And carrier mobility based deformation potential theory, shows different effectively control mobility, a large polarity clearly observed. Furthermore, significantly enhance device properties compared with those pristine ribbon, such creating negative differential resistance phenomenon. studies demonstrate might hold promising applications nano-electronics.