title: Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions.
abstract: Using density functional theory coupled with Boltzmann transport equation with relaxation time approximation, we investigate the electronic structure and predict the charge mobility for a new carbon allotrope, the graphdiyne for both the sheet and nanoribbons. It is shown that the graphdiyne sheet is a semiconductor with a band gap of 0.46 eV. The calculated in-plane intrinsic electron mobility can reach the order of 10(5) cm(2)/(V s) at room temperature, while the hole mobility is about an order of magnitude lower.
authors: Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China.
authors: Mengqiu
authors: M
authors: Long
authors: Ling
authors: L
authors: Tang
authors: Dong
authors: D
authors: Wang
authors: Yuliang
authors: Y
authors: Li
authors: Zhigang
authors: Z
authors: Shuai