Title :
Enhancing metallicity in zigzag graphene nanoribbons with adsorbed/substitutionally doped copper atoms
Author :
Jaiswal, Neeraj K. ; Srivastava, Pankaj ; Sengar, A.S.
Author_Institution :
Comput. Nanosci. & Technol. Lab. (CNTL), ABV-Indian Inst. of Inf. Technol. & Manage., Gwalior, India
Abstract :
Width dependent properties of Cu doped zigzag graphene nanoribbons (ZGNR) have been examined with density functional theory. We considered Cu as an adsorbed atom as well as a substitutional dopant (SD) at edge and the centre of ZGNR. It is revealed that adsorption and SD affect the stability of the ribbons in a different manner. Adsorption is energetically favorable whereas SD results in stronger binding of Cu atom with ZGNR. Edge is found as the preferred site for both types of Cu doping. The electronic property of ZGNR is effectively modified by the presence of Cu atoms and enhanced metallicity is observed in nanoribbons with substitutional Cu impurity. The observed high metallicity of Cu doped ZGNR is crucial particularly for the nanoelectronic interconnects.
Keywords :
Brillouin zones; adsorption; copper; density functional theory; doping; graphene; nanoribbons; C:Cu; adsorbed-substitutionally doped copper atoms; copper doped zigzag graphene nanoribbons; density functional theory; electronic property; impurity; metallicity; nanoelectronic interconnects; width dependent properties; Density functional theory; Doping; Magnetic semiconductors; Saturation magnetization; World Wide Web; Formation energy; binding energy; transmission spectra;
Conference_Titel :
Nanotechnology (IEEE-NANO), 2012 12th IEEE Conference on
Conference_Location :
Birmingham
Print_ISBN :
978-1-4673-2198-3
DOI :
10.1109/NANO.2012.6321984
