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Nayereh Ghobadi et al.
Summary: The electronic properties of a field-effect transistor with MoSi2N4 and MoSi2N4 monolayers as the channel material under biaxial strain are investigated. The band gaps can be adjusted by strain, and the I-ON/I-OFF ratios of these compounds also vary with strain.
IEEE TRANSACTIONS ON ELECTRON DEVICES
(2022)
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A. Bafekry et al.
Summary: Motivated by the successful formation of the MoSi2N4 monolayer, this study investigates the structural, electronic, and magnetic properties of MoSi2N4 nanoribbons for the first time. The study reveals an indirect to direct bandgap shift and a Dirac-semimetal character in certain edge configurations of the nanoribbons. These findings provide insights into the physical properties of nanoribbons and open up new possibilities for next-generation electronic devices.
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Summary: In this study, a series of two-dimensional (2D)/2D Z-scheme systems with interlayer inequivalent were designed and investigated. It was demonstrated that these systems exhibited excellent catalytic activity, environmental stability, and fulfilled the redox potential requirements for water splitting. Additionally, the systems showed enhanced light absorption performance and sliding ferroelectricity, suggesting their promising applications in future nanogenerators. This work provides new insights into energy conversion devices.
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Cuong Q. Nguyen et al.
Summary: In this study, the atomic and electronic structures of the C3N4/MoSi2N4 van der Waals heterostructure (vdWH) were investigated. It was found that the C3N4/MoSi2N4 vdWH has a semiconductor characteristic with a band gap in the visible light range, indicating strong optical absorption. The band edges of the C3N4/MoSi2N4 vdWH originate from the C3N4 and MoSi2N4 layers, resulting in a type-II band alignment. Furthermore, the electronic structure and band alignment types can be flexibly tuned by external electric field and interlayer distance change.
Article
Chemistry, Physical
A. Bafekry et al.
Summary: Theoretical calculations reveal that the adsorption of certain gas molecules on the MSN monolayer surface can preserve its semiconductor character while altering its electronic properties. Spin polarization with magnetic moments can be introduced by the adsorption of certain molecules. The band gap and magnetic moment of the adsorbed MSN monolayer can also be modulated by the concentration of specific molecules, suggesting high application potential for gas detection.
APPLIED SURFACE SCIENCE
(2021)
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A. Bafekry et al.
Summary: The MoSi2N4 monolayer exhibits stability, similar work function to phosphorene and MoS2, an indirect semiconductor structure, and slightly larger-than-unity figure of merit for thermoelectric performance at high temperatures. Optically, the first absorption peak is in the visible range, making it promising for advanced optoelectronic nanodevices.
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Summary: Recent research focuses on leveraging the quantum laws of nature in machine learning, with models such as the spin-fermion machine proposed. SFM training is efficient with closed expressions for the log-likelihood gradient, showing greater power compared to classical models.
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Summary: This study reports the observation of excitons coupled to zigzag antiferromagnetic order in the layered antiferromagnetic insulator NiPS3, with narrow photoluminescence linewidth and near-unity linear polarization. The suppression of photoluminescence with reduced sample thickness, consistent with the calculated bandgap of NiPS3, indicates the potential of NiPS3 as a 2D platform for exploring magneto-exciton physics with strong correlations.
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(2021)
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Jihai Yu et al.
Summary: A novel 2D MXene, MoSi2N4, with excellent ambient stability, high carrier mobility, and moderate band gap was successfully synthesized recently. The monolayer MoSi2N4 was found to unexpectedly exhibit high lattice thermal conductivity, making it a potential material for thermal transport in future nano-electronic devices. Despite its heavy atomic mass and complex crystal structure, MoSi2N4 showed high lattice thermal conductivity due to large group velocities and small anharmonicity.
NEW JOURNAL OF PHYSICS
(2021)
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A. Bafekry et al.
Summary: A two-dimensional MoSi2N4 (MSN) structure has been successfully synthesized, and its monolayer and bilayer have been studied for their structural, electronic, and optical properties using density functional theory calculations. The research shows that the MSN-2L exhibits varied bandgap, conductivity, and optical response under different E-field and strain conditions, making it a promising material for electro-mechanical and UV opto-mechanical devices.
JOURNAL OF APPLIED PHYSICS
(2021)
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Chemistry, Physical
Xiaoze Liu et al.
Summary: Nonlinear phonon scattering in monolayer MoS2 strongly coupled to a plasmonic cavity mode has been demonstrated, showing enhanced valley polarization and sustained coherence in the stimulated regime. This suggests the potential of valley-cavity-based systems for various applications in cavity quantum electrodynamics.
Article
Chemistry, Physical
Bohayra Mortazavi et al.
Summary: The MA(2)Z(4) nanosheets exhibit superior stability, mechanical properties, electronic properties, and thermal conductivity. In particular, WSi2N4, CrSi2N4, and MoSi2N4 demonstrate the highest piezoelectric coefficients among all known 2D materials, highlighting their potential for applications in nanoelectronics, optoelectronics, energy storage/conversion, and thermal management systems.
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Nanoscience & Nanotechnology
Yan Yin et al.
Summary: The lattice thermal conductivity of the newly synthesized 2D MoSi2N4 family was analyzed using ab initio phonon Boltzmann transport calculations. It was found that MoSi2N4 showed anomalous behavior in terms of thermal conductivity compared to other elements within the same group, deviating from the classic rule proposed by Slack.
ACS APPLIED MATERIALS & INTERFACES
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A. Bafekry et al.
Summary: The first synthesis of two-dimensional MoSi2N4 (MSN) monolayer with rich physical and chemical properties was achieved. Using spin-polarized density functional theory, the study investigated the impact of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. The results showed that all defects studied decrease the band gap of the MSN monolayer, revealing unique electronic and magnetic properties for each type of defect.
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Summary: The study investigates the electronic and excitonic optical properties of the newly synthesized two-dimensional material WSi2N4. Results show that WSi2N4 monolayer is a semiconductor with an indirect band gap, and exhibits stable excitonic states at room temperature, making it a promising candidate for optoelectronic applications.
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A. Bafekry et al.
Summary: The study investigates the structural, electronic, and optical properties of the MoS2/MoSi2N4 heterostructure, finding that it has a smaller indirect bandgap and lower work function compared to individual monolayers. The heterostructure can enhance light absorption in both the ultraviolet and visible regions. The refractive index behavior of the HTS is described as a cumulative effect of the individual effects of the MoSi2N4 and MoS2 monolayers.
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Jian Zeng et al.
Summary: Successful design and systematic study of a type-II heterojunction C2N/MoSi2N4 shows thermodynamic stability and excellent photocatalytic performance. The heterojunction displays good interface electronic properties, large interlayer charge transfer, and visible light response, paving the way for potential application in the field of photocatalytic water splitting.
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