Electronic and transport characteristics of vacancy and nitrogen-doped graphene nanoribbon rotational switch

First-principles study of optical properties of armchair graphene nanoribbons with divacancy defect

“…Currently, many methods can be used to fabricate GNR experimentally, among which chemical vapor deposition and mechanical cutting methods are the most common [18]. Although perfect GNRs exhibit attractive physical and chemical properties, limited by the technology and equipment, there will inevitably contains some defects in material preparation, among them, vacancies are the most common one [19][20][21][22][23][24]. Monovacancy or divacancy affects the electronic [19][20][21][22], transport properties [23], and rectification behavior [24], etc.…”

“…Although perfect GNRs exhibit attractive physical and chemical properties, limited by the technology and equipment, there will inevitably contains some defects in material preparation, among them, vacancies are the most common one [19][20][21][22][23][24]. Monovacancy or divacancy affects the electronic [19][20][21][22], transport properties [23], and rectification behavior [24], etc. For example, Xiong et al found that localization caused by monovacancy can inhibit the conductance [19].…”

“…Based on density functional theory (DFT) calculations, we plan to carry out systematic theoretical research to determine the optical properties caused by divacancy defects in GNRs. To some extent, our motivation for this work comes from the study of the electronics, transport and magnetism of GNRs with vacancy defects [19][20][21][22][23][24][25][26]. We believe that after full research, the possibility of fabricating high carrier mobility field-effect transistors based on graphene will gradually become a reality, which may also be the reason why people are very interested in the in-depth study of graphene based materials [27].…”