Effect of mono vacancy defect on the charge carrier mobility of carbon nanotubes: A case study on (10, 0) tube from first-principles. (November 2016)

• Record Type: Journal Article
• Authors: Ma, Yujia; Ma, Jinsuo; Lv, Youlong; Liao, Jiani; Ji, Yongqiang; Bai, Hongcun
• Is Part Of: Superlattices and microstructures. Volume 99(2016)
• Page Start: 140
• Page End: 144
• Publication Date: 2016-11
• Subjects: Carrier mobility -- Carbon nanotubes -- Vacancy defect -- First-principles; Superlattices as materials -- Periodicals; Microstructure -- Periodicals; Semiconductors -- Periodicals; Superréseaux -- Périodiques; Microstructure (Physique) -- Périodiques; Semiconducteurs -- Périodiques; 621.38152
• DOI: 10.1016/j.spmi.2016.03.031
• Languages: English
• ISSNs: 0749-6036

Abstract

Abstract: This work presented first-principle investigations on the charge carrier mobility of carbon nanotubes containing mono vacancy or related defects. The charge carrier mobilities of the pristine and three defective zigzag (10, 0) tubes were studied as an example to explore the role of defects. Most carrier mobilities were decreased, while the electron mobility of one defective structure was unexpectedly increased upon the appearance of the defect according to the obtained carrier mobilities. It was found that it was mainly the decreased deformation potential constants caused by vacancy defect, increases the carrier mobility. As to the decreased mobility, the most important factor was the heavier carrier induced by defects. Graphical abstract: Highlights: The vacancy defects could unexpectedly increase the electron mobility of (10, 0) tube. The decreased deformation potential constant caused by vacancy defect, plays an important role for the increased mobility. The decreased mobility is mainly due to the heavier carriers induced by the defect.