Exploring the application of Janus <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:msub> <mml:mrow> <mml:mi>Mo</mml:mi> <mml:mi>Si</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mrow> <mml:mrow> <m

The $M{A}_{2}{Z}_{4}$ family of materials exhibits excellent thermal and mechanical stability, unique electronic properties, and ultrahigh carrier mobility, rendering them highly promising for low-dimensional nanodevice applications. Using atomic substitution modeling, we computationally investigate the structural configurations of ${\ensuremath{\alpha}}_{1}$- and ${\ensuremath{\alpha}}_{2}$-phase in three monolayers: ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{N}}_{2}{\mathrm{P}}_{2}$, $\mathrm{Mo}(\mathrm{Si}\mathrm{NP}{)}_{2}\text{\ensuremath{-}}\mathrm{A}$, and $\mathrm{Mo}(\mathrm{Si}\mathrm{NP}{)}_{2}$-$\mathrm{B}$. Our first-principles analysis reveals that these monolayers possess robust structural and mechanical stability alongside high carrier mobility, making them ideal candidates for next-generation nanoelectronics. Specifically, the simulations of pn-junction diodes based on Janus ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{N}}_{2}{\mathrm{P}}_{2}$ monolayers demonstrate excellent rectification effects, while ${\ensuremath{\alpha}}_{1}$-phase ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{N}}_{2}{\mathrm{P}}_{2}$ pn-junction diodes exhibit negative differential resistance at finite bias. Furthermore, the pin-junction field-effect transistors show distinct behavior under positive and negative gate voltages, and the associated phototransistors display robust photovoltaic responses in the violet and ultraviolet regions, underscoring their significant optoelectronic potential. These results demonstrate the potential of Janus $M{A}_{2}{Z}_{4}$-based monolayers for future high-performance electronic and optoelectronic applications.

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Publication Details

Journal
Physical Review Applied
Published
2025-09-30
DOI
https://doi.org/10.1103/z6gq-xv4m
Citations
2
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
1.04
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Exploring the application of Janus <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:msub> <mml:mrow> <mml:mi>Mo</mml:mi> <mml:mi>Si</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mrow> <mml:mrow> <m

Junshuai Wang, Chunlan Ma, Shuaikang Zhang, Chuanxi Zhao et al.
2 citations
Physical Review Applied
2D Materials and Applications
1.04
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Exploring the application of Janus <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:msub> <mml:mrow> <mml:mi>Mo</mml:mi> <mml:mi>Si</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mrow> <mml:mrow> <m

Junshuai Wang, Chunlan Ma, Shuaikang Zhang, Chuanxi Zhao, Mehrdad Shiri, Xiao Dong, Shijing Gong, Yipeng An, Jiajun Li, Kun Wang, Tianxing Wang, Xiaozheng Fan
article en
2 citations

Abstract

The $M{A}_{2}{Z}_{4}$ family of materials exhibits excellent thermal and mechanical stability, unique electronic properties, and ultrahigh carrier mobility, rendering them highly promising for low-dimensional nanodevice applications. Using atomic substitution modeling, we computationally investigate the structural configurations of ${\ensuremath{\alpha}}_{1}$- and ${\ensuremath{\alpha}}_{2}$-phase in three monolayers: ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{N}}_{2}{\mathrm{P}}_{2}$, $\mathrm{Mo}(\mathrm{Si}\mathrm{NP}{)}_{2}\text{\ensuremath{-}}\mathrm{A}$, and $\mathrm{Mo}(\mathrm{Si}\mathrm{NP}{)}_{2}$-$\mathrm{B}$. Our first-principles analysis reveals that these monolayers possess robust structural and mechanical stability alongside high carrier mobility, making them ideal candidates for next-generation nanoelectronics. Specifically, the simulations of pn-junction diodes based on Janus ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{N}}_{2}{\mathrm{P}}_{2}$ monolayers demonstrate excellent rectification effects, while ${\ensuremath{\alpha}}_{1}$-phase ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{N}}_{2}{\mathrm{P}}_{2}$ pn-junction diodes exhibit negative differential resistance at finite bias. Furthermore, the pin-junction field-effect transistors show distinct behavior under positive and negative gate voltages, and the associated phototransistors display robust photovoltaic responses in the violet and ultraviolet regions, underscoring their significant optoelectronic potential. These results demonstrate the potential of Janus $M{A}_{2}{Z}_{4}$-based monolayers for future high-performance electronic and optoelectronic applications.

Physical Review AppliedVol. 24(4)
University of Miami (US), Jinan University (CN), Suzhou University of Science and Technology (CN), East China Normal University (CN), Henan Normal University (CN)
Openalex Percentile: Top 21%
2D Materials and Applications
1.04
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