Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external electric field
First-principles calculations have been used to investigate the structural and electronic properties of graphitic ZnO and MoS2(g-ZnO/MoS2)nanocomposites.It is found that the binding strength of g-ZnO/MoS2 exhibits strong dependence of atomic arrangement of g-ZnO relative to MoS2.The coupling interaction of g-ZnO/MoS2 obviously reduces the semiconducting band gaps,compared to both individual sheets,which are sensitive to its stacking orders.Interestingly,the vertical external electric field(E-field)can be applied to enhance the stability of g-ZnO/MoS2 and increase charge transfers between these two component.Furthermore,the E-field with the positive direction from MoS2 to g-ZnO can tune the band gap of g-ZnO/MoS2 nanocomposites,whereas this nanocomposites produce the semiconducting to metallic behavior transitions when the E-field changes from positive to negative direction,regardless of the stacking pattern.The tunable electronic properties of g-ZnO/MoS2 nanocomposites under the E-field are attributed to the changes in electrostatic potential difference between atom layer of MoS2 and interlayer region close to g-ZnO.Present results suggest that the g-ZnO/MoS2 heterojunction provides promising applications for MoS2-based optoelectronic and nanoelectronic devices,such as fabricating field effect transistor(FET).
Weihua Wu Shaobin Tang Junjing Gu Xinrui Cao
Key Laboratory of Organo-Pharmaceutical Chemistry of Jiangxi Province,Gannan Normal University,Ganzh State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Department of Theoretical Chemistry and Biology,School of Biotechnology,Royal Institute of Technolog
国内会议
大连
英文
369-379
2016-09-24（万方平台首次上网日期，不代表论文的发表时间）