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发布时间：2019-03-12

论文类型：期刊论文

发表时间：2017-04-05

发表刊物：ACS APPLIED MATERIALS & INTERFACES

收录刊物：PubMed、EI、SCIE

卷号：9

期号：13

页面范围：12013-12020

ISSN号：1944-8244

关键字：monolayer group-IV monochalcogenides; oxidation resistance; activation energy; band gap; effective mass

摘要：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 application. 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 monochalcogenicles -with activation energies for- the :,chemisorption of O-2 on 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 modetate 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.