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Two-dimensional transition metal dichalcogenides (2D-TMDs) have been proposed as novel optoelectronic materials for space applications due to their relatively light weight. MoS2 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 MoS2. We perform Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) studies of MoS2, 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 MoS2. DFT calculations elucidate the electronic properties of MoS2 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 MoS2 monolayer irradiated by gamma rays sheds light on the properties of a MoS2 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 MoS2 monolayer may increase after gamma irradiation due to the creation of additional defect states. 

Abstract Grain boundaries in mantle minerals are of critical importance to geophysical and geochemical processes of the Earth’s interior. One of the fundamental issues is to understand how the water (H2O) component influences the properties of grain boundaries in silicate materials. Here, we report the results of the structure and stability of several tilt grain boundaries in Mg2SiO4 forsterite over the pressure range 0 to 15 GPa using density functional theory-based first-principles simulations. The results suggest greater energetic stability and hydration-driven volume collapse (negative excess volume) at zero pressure for the majority of hydrous grain boundaries relative to the anhydrous (dry) ones. All the hydrous grain boundaries become increasingly favorable at elevated pressures as the calculated hydration enthalpy systematically decreases with increasing pressure. The hydrous components at the interfacial regions are predominantly in the hydroxyl form and, to a lesser extent, in the molecular H2O form. Their calculated ratio ranges from 1.6 to 8.7 among the different grain boundary configurations. Our structural analysis also reveals that the hydroxyls are bound to either both Mg and Si or to Mg only. In comparison, the molecular species are bound only to Mg sites. Besides direct oxygen-hydrogen bonding, intermolecular hydrogen bonding becomes important with compression. On the basis of our results, we suggest that local atomic rearrangements caused by dissociative adsorption of water facilitate efficient compaction of the boundary interfaces, which, in turn, results in greater relative stability of hydrous grain boundaries. This means that water prefers to be incorporated within the grain boundaries over the bulk of silicate materials. 

Probe is the core component of an optical scanning probe microscope such as scattering-type scanning near-field optical microscopy (s-SNOM). Its ability of concentrating and localizing light determines the detection sensitivity of nanoscale spectroscopy. In this paper, a novel plasmonic probe made of a gradient permittivity material (GPM) is proposed and its nanofocusing performance is studied theoretically and numerically. Compared with conventional plasmonic probes, this probe has at least two outstanding advantages: First, it doesn't need extra structures for surface plasmon polaritons (SPPs) excitation or localized surface plasmon resonance (LSPR), simplifying the probe system; Second, the inherent nanofocusing effects of the conical probe structure can be further reinforced dramatically by designing the distribution of the probe permittivity. As a result, the strong near-field enhancement and localization at the tip apex improve both spectral sensitivity and spatial resolution of a s-SNOM. We also numerically demonstrate that a GPM probe as well as its enhanced nanofocusing effects can be realized by conventional semiconductor materials with designed doping distributions. The proposed novel plasmonic probe promises to facilitate subsequent nanoscale spectroscopy applications.