title: Carrier mobility of MoS2 nanoribbons with edge chemical modification.
abstract: We have investigated the electronic structures and carrier mobilities of MoS2 monolayer sheets and armchair nanoribbons with chemical modification using the density functional theory combined with the Boltzmann transport method with relaxation time approximation. It is shown that the hole mobility (96.62 cm(2) V(-1) s(-1)) in monolayer sheets is about twice that of the electron mobility (43.96 cm(2) V(-1) s(-1)). The charge mobilities in MoS2 armchair nanoribbons can be regulated by edge modification owing to the changing electronic structures. In pristine armchair nanoribbons, the electron and hole mobilities are about 30 cm(2) V(-1) s(-1) and 25 cm(2) V(-1) s(-1), respectively. When the edges are terminated by H or F atoms, the hole mobility will enhance obviously even 10 times that in pristine ribbons, and the electron mobility is comparable with that in MoS2 sheets.
authors: Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083, China. mqlong@csu.edu.cn cmpxhg@csu.edu.cn.
authors: Jin
authors: J
authors: Xiao
authors: Mengqiu
authors: M
authors: Long
authors: Mingjun
authors: M
authors: Li
authors: Xinmei
authors: X
authors: Li
authors: Hui
authors: H
authors: Xu
authors: Kwoksum
authors: K
authors: Chan