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Tuning the Band Gap in Silicene by Oxidation

机译:通过氧化调整silicene中的带隙

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摘要

Silicene monolayers grown on Ag(111) surfaces demonstrate a band gap that istunable by oxygen adatoms from semimetallic to semiconducting type. By usinglow-temperature scanning tunneling microscopy, it is found that the adsorptionconfigurations and amounts of oxygen adatoms on the silicene surface arecritical for band-gap engineering, which is dominated by different buckledstructures in R13xR13, 4x4, and 2R3x2R3 silicene layers. The Si-O-Si bonds arethe most energy-favored species formed on R13xR13, 4x4, and 2R3x2R3 structuresunder oxidation, which is verified by in-situ Raman spectroscopy as well asfirst-principles calculations. The silicene monolayers retain their structureswhen fully covered by oxygen adatoms. Our work demonstrates the feasibility oftuning the band gap of silicene with oxygen adatoms, which, in turn, expandsthe base of available two-dimensional electronic materials for devices withproperties that is hardly achieved with graphene oxide.
机译:在Ag(111)表面上生长的硅单分子膜显示出能带隙,该能带隙可被氧原子从半金属型转变为半导体型。通过低温扫描隧道显微镜,发现硅的表面上的吸附构型和氧原子的吸附量对于带隙工程至关重要,这主要由R13xR13、4x4和2R3x2R3硅层中的不同弯曲结构主导。 Si-O-Si键是在氧化作用下在R13xR13、4x4和2R3x2R3结构上形成的能量最受支持的物种,这已通过原位拉曼光谱法和第一性原理计算得到证实。硅单分子层在被氧原子完全覆盖时仍保持其结构。我们的工作证明了用氧原子调节硅的带隙的可行性,这反过来又扩大了可用二维电子材料用于具有氧化石墨难以实现的性能的器件的基础。

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