title: Oxidation Resistance of Monolayer Group-IV Monochalcogenides.
abstract: Ridged, orthorhombic two-dimensional (2D) group-V elemental and group IV-VI compound analogues of phosphorene provide a versatile platform for nanoelectronics, optoelectronics, and clean energy. However, phosphorene is vulnerable to oxygen in ambient air, which is a major obstacle for its applications. Regarding this issue, here we explore the oxidation behavior of monolayer group-IV monochalcogenides (GeS, GeSe, SnS, and SnSe), in comparison to that of phosphorene and arsenene by first-principles calculations. We find superior oxidation resistance of the monolayer group-IV monochalcogenides, with activation energies for the chemisorption of O2on the 2D sheets in the range of 1.26-1.60 eV, about twice of the values of phosphorene and arsenene. The distinct oxidation behaviors of monolayer group-IV monochalcogenides and group-V phosphorene analogues originate from their different bond natures. Moreover, the chemisorption of a moderate amount of oxygen atoms does not severely deteriorate the electronic band structures of the monolayer group-IV monochalcogenides. These results shine light on the utilization of the monolayer group-IV monochalcogenides for next-generation 2D electronics and optoelectronics with high performance and stability.
authors.affiliation: Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education , Dalian 116024, China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Guo
authors.affiliation: Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education , Dalian 116024, China.
authors.forename: Si
authors.identifier: http://orcid.org/0000-0002-0842-1075
authors.initials: S
authors.lastname: Zhou
authors.affiliation: Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education , Dalian 116024, China.
authors.forename: Yizhen
authors.initials: Y
authors.lastname: Bai
authors.affiliation: Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education , Dalian 116024, China.
authors.forename: Jijun
authors.identifier: http://orcid.org/0000-0002-3263-7159
authors.initials: J
authors.lastname: Zhao
keywords: activation energy; band gap; effective mass; monolayer group-IV monochalcogenides; oxidation resistance