title: Rectification inversion in oxygen substituted graphyne-graphene-based heterojunctions.
abstract: Current rectification is found in oxygen-substituted zigzag graphyne nanoribbon/hydrogen-terminated zigzag graphene nanoribbon heterostructure junctions, from the application of nonequilibrium Green's function formalism combined with density functional theory. This behavior could be tuned by varying the number and location of oxygen atoms in the zigzag graphyne nanoribbon parts, and the rectification direction could be reversed due to the parity limitation tunneling effect. Moreover, an obvious negative differential resistance behavior is found and may be explained by two different mechanisms.
authors.affiliation: School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China. liuds@sdu.edu.cn.
authors.forename: Wen-kai
authors.initials: WK
authors.lastname: Zhao
authors.forename: Bin
authors.initials: B
authors.lastname: Cui
authors.forename: Chang-feng
authors.initials: CF
authors.lastname: Fang
authors.forename: Guo-min
authors.initials: GM
authors.lastname: Ji
authors.forename: Jing-fen
authors.initials: JF
authors.lastname: Zhao
authors.forename: Xiang-ru
authors.initials: XR
authors.lastname: Kong
authors.forename: Dong-qing
authors.initials: DQ
authors.lastname: Zou
authors.forename: Xiao-hui
authors.initials: XH
authors.lastname: Jiang
authors.forename: Dong-mei
authors.initials: DM
authors.lastname: Li
authors.forename: De-sheng
authors.initials: DS
authors.lastname: Liu