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γ辐照对二硫化钼单层物理性质的影响。

Effect of gamma irradiation on the physical properties of MoS monolayer.

作者信息

Chavda Chintan P, Srivastava Ashok, Vaughan Erin, Wang Jianwei, Gartia Manas Ranjan, Veronis Georgios

机构信息

Division of Electrical and Computer Engineering, Louisiana State University, Baton Rouge, LA, USA.

United States Airforce Research Laboratory, Albuquerque, NM, USA.

出版信息

Phys Chem Chem Phys. 2023 Aug 23;25(33):22359-22369. doi: 10.1039/d3cp02925e.

Abstract

Two-dimensional transition metal dichalcogenides (2D-TMDs) have been proposed as novel optoelectronic materials for space applications due to their relatively light weight. MoS has been shown to have excellent semiconducting and photonic properties. Although the strong interaction of ionizing gamma radiation with bulk materials has been demonstrated, understanding its effect on atomically thin materials has scarcely been investigated. Here, we report the effect of gamma irradiation on the structural and electronic properties of a monolayer of MoS. We perform Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) studies of MoS, before and after gamma ray irradiation with varying doses and density functional theory (DFT) calculations. The Raman spectra and XPS results demonstrate that point defects dominate after the gamma irradiation of MoS. DFT calculations elucidate the electronic properties of MoS before and after irradiation. Our work makes several contributions to the field of 2D materials research. First, our study of the electronic density of states and the electronic properties of a MoS monolayer irradiated by gamma rays sheds light on the properties of a MoS monolayer under gamma irradiation. Second, our study confirms that point defects are formed as a result of gamma irradiation. And third, our DFT calculations qualitatively suggest that the conductivity of the MoS monolayer may increase after gamma irradiation due to the creation of additional defect states.

摘要

二维过渡金属二硫属化物(2D-TMDs)因其相对较轻的重量而被提议作为空间应用的新型光电子材料。已表明MoS具有优异的半导体和光子特性。尽管已经证明了电离伽马辐射与块状材料之间的强相互作用,但对其对原子级薄材料的影响的了解却几乎没有被研究过。在此,我们报告伽马辐照对单层MoS的结构和电子性质的影响。我们对不同剂量伽马射线辐照前后的MoS进行拉曼光谱和X射线光电子能谱(XPS)研究以及密度泛函理论(DFT)计算。拉曼光谱和XPS结果表明,伽马辐照后的MoS中,点缺陷占主导地位。DFT计算阐明了辐照前后MoS 的电子性质。我们的工作对二维材料研究领域做出了多项贡献。首先,我们对伽马射线辐照的MoS单层的态密度和电子性质的研究揭示了伽马辐照下MoS单层的性质。其次,我们的研究证实了伽马辐照会导致点缺陷的形成。第三,我们的DFT计算定性地表明,由于产生了额外的缺陷态,伽马辐照后MoS单层的电导率可能会增加。

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