title: Density functional study on the increment of carrier mobility in armchair graphene nanoribbons induced by Stone-Wales defects.
abstract: Armchair graphene nanoribbons and their derived structures containing Stone-Wales defects are investigated using a self-consistent field crystal orbital method based on density functional theory. The investigation indicates that both the nanoribbons and the defective structures are semiconductors. A low concentration of middle Stone-Wales defects generally increases the carrier mobility, calculated using deformation potential theory, while edge Stone-Wales defects decrease it. The largest increment of the carrier mobility is as high as 170%, which is explained by the lighter carrier effective mass with crystal orbital analysis.
authors: Department of Chemistry, Capital Normal University, Beijing 100048, China. wangguo@mail.cnu.edu.cn
authors: Guo
authors: G
authors: Wang