Related references
Note: Only part of the references are listed.
Article
Chemistry, Physical
Zhenxian Zhao et al.
Summary: In this study, the electronic structure and magnetic anisotropy of a series of two-dimensional transition metal nitride monolayers (MSi2N4) were systematically analyzed. It was found that ScSi2N4 and VSi2N4 monolayers exhibit half-metallic properties, while TiSi2N4 and CrSi2N4 monolayers are semiconductors. The remaining monolayers are metallic. By applying strain, the metallic monolayers can be transformed into half-metallic or semiconductor ones. Two-dimensional materials with half-metallic abundance and perpendicular magnetic anisotropy have potential applications in spintronic devices.
APPLIED SURFACE SCIENCE
(2023)
Article
Physics, Applied
Qingyun Wu et al.
Summary: Layered MSi2N4 materials exhibit rich electrical and magnetic properties, making them promising for spintronic applications. The proposed atomically thin VSi2N4/MoSi2N4/VSi2N4 magnetic tunnel junction (MTJ) shows a giant tunneling magnetoresistance (TMR) and near perfect spin injection efficiency (SIE).
APPLIED PHYSICS LETTERS
(2022)
Article
Physics, Multidisciplinary
Zhiyuan Sun et al.
Summary: This study investigates the electronic, optical, and photocatalytic properties of alkali-metal-adsorbed MoSi2N4 monolayers. The results show that alkali metal adsorption can modify the bandgap and work function of the material, and enhance its visible light absorption. Li- and Na-adsorbed materials are found to be more suitable for water splitting photocatalysis, while Li adsorption shows the highest potential for CO2 reduction. These findings suggest that alkali-metal-adsorbed MoSi2N4 monolayers have promising applications for optoelectronic devices and photocatalytic materials.
COMMUNICATIONS IN THEORETICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Yuhong Huang et al.
Summary: The thermoelectric performance of MoSi2As4 monolayer was investigated using density functional theory and Boltzmann transport theory. The results showed that the material exhibited high power factors and thermoelectric figure of merit at 1200K, making it a potential candidate for high-temperature thermoelectric applications.
Article
Engineering, Electrical & Electronic
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)
Article
Engineering, Electrical & Electronic
Keshari Nandan et al.
Summary: The study reports the performance of field-effect transistors using a monolayer of layered two-dimensional MoSi2N4 as the channel material, comparing them to other advanced FETs. The figure of merits of combinational and sequential logic circuits based on the double gate devices show promising performance when benchmarked against alternative logic technologies.
IEEE TRANSACTIONS ON ELECTRON DEVICES
(2022)
Article
Materials Science, Multidisciplinary
Wangwang Qian et al.
Summary: The density functional theory calculations revealed that introducing nitrogen vacancies on the surface can enhance the catalytic activity of monolayer MoSi2N4 for hydrogen evolution reaction, with a lower overpotential compared to noble metal Pt. The HER activity of MoSi2N4 is highly dependent on the surface NV concentration, which is related to the center of the Si-3p band.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Applied
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.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Physics, Applied
Chen Xuefeng et al.
Summary: Through first-principle calculations, a MoSi2N4/BlueP heterostructure is designed and investigated, which exhibits the characteristics of direct Z-scheme vdW heterostructure, favorable for the spatial separation of photogenerated carriers and retains a strong redox capacity. The heterostructure has a stronger light absorption from the visible to ultraviolet region compared to two monolayer materials. The solar to hydrogen conversion efficiency is over three-fold and four-fold as great as that of pristine MoSi2N4 and BlueP monolayers, respectively.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Xiurui Lv et al.
Summary: Strain engineering is a crucial method for manipulating material properties. Studies on monolayer MoSi2N4 have shown that in-plane strain can effectively change its electronic and optical properties, paving the way for the design of strain-modulated optoelectronic devices.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2022)
Article
Materials Science, Multidisciplinary
Xi-Mei Li et al.
Summary: Layered MoSi2N4 shows potential as both cathode and anode in Zn-air batteries. With increasing Zn loading, a phase transition from state I to state III occurs in MoSi2N4, leading to an increased maximum theoretical capacity. As a cathode material, MoSi2N4 exhibits a more efficient two-electron mechanism for O2 reduction to ZnO2 compared to the sluggish four-electron aqueous O2 redox reactions.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2022)
Article
Chemistry, Physical
Chen Shen et al.
Summary: This study investigated the thermal conductivity of novel 2D layered MSi2N4 (M = Mo, W) using first-principles calculations, revealing that monolayer MoSi2N4 has a competitive thermal conductivity. The high thermal conductivity is mainly attributed to its large group velocity and low anharmonicity, making MoSi2N4 a potential candidate for 2D thermal management materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Bingjie Ye et al.
Summary: The study reveals that two-dimensional MoSi2N4 is a suitable channel material for high-performance transistors due to its high carrier mobility, appropriate band gap, and good environmental stability. By performing ab initio quantum-transport calculations, the performance of double-gate MOSFETs based on monolayer MoSi2N4 is predicted. The results show excellent on-state current and performance metrics.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Yong He et al.
Summary: Research on the electronic and photocatalytic properties of 2D InSe/MoSi2N4 heterostructure using density functional theory shows a type-II band alignment with a favorable direct bandgap and high electron mobility, making it a potential photocatalyst for overall water splitting.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Mohamed A. Abdelati et al.
Summary: In this study, first-principle calculations were conducted to investigate the effect of substitutional doping of transition metals (TM) on the structural, magnetic, and electronic properties of MoSiN monolayers. The results demonstrate that different TM dopants result in varying conductivity and magnetism in MoSiN monolayers, and the atomic radius and electronegativity of the TM atom influence the surface properties of TM-MoSiN.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Applied
Yulin Feng et al.
Summary: In this study, the electronic structure, magnetism, and spin transport properties of VSi2X4 (X = N, P, As) monolayers were systematically studied using density functional theory. The results showed that VSi2X4 monolayers exhibit ferromagnetic type-II spin gapless semiconductor (SGS) and bipolar magnetic semiconductor (BMS) properties, and interesting electronic phase transitions can be achieved by applying biaxial strain. Additionally, the VSi2P4 monolayer demonstrated bias-dependent spin filtering effect and temperature-driven spin Seebeck effect.
APPLIED PHYSICS LETTERS
(2022)
Article
Physics, Applied
Jin Quan Ng et al.
Summary: Van de Waals heterostructures (VDWH) are an emerging strategy to engineer the electronic properties of two-dimensional material systems. By investigating the synergy of MoSi2N4 with wide-bandgap 2D monolayers of GaN and ZnO, researchers found that MoSi2N4/GaN is a direct bandgap type-I VDWH, while MoSi2N4/ZnO is an indirect bandgap type-II VDWH. Modifying the band structures of these VDWHs by applying electric field or mechanical strain shows promise for ultracompact optoelectronic applications.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Song Lu et al.
Summary: This study focuses on investigating the OER/ORR activities of 3d transition metal atoms embedded MoSi2N4, with Ti and Cr showing the best performance as OER and ORR catalysts, while different sites of Cu and Zn also exhibit good electrocatalytic properties in the system.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
R. T. Sibatov et al.
Summary: This paper studies the structure, properties, and potential applications of asymmetric 2D materials XMoSiN2, which are modified from MoSi2N4.
APPLIED SURFACE SCIENCE
(2022)
Article
Physics, Multidisciplinary
Qian Liang et al.
Summary: This study investigates the modulation effects of biaxial strain on the Schottky barrier of MoSi2N4/graphene and WSi2N4/graphene heterojunctions using first principles calculations. The results demonstrate that suitable external strain can transform the heterojunctions from Schottky p-type contacts to n-type contacts, and even highly efficient Ohmic contacts. These findings are of great importance for developing high-performance graphene-based electronic devices.
Article
Physics, Applied
Congying Liu et al.
Summary: This article investigates the structural stability, electronic properties, charge-transport mechanisms, and optical properties of 2D MoSi2N4/Cs3Bi2I9 van der Waals heterostructures (vdWHs) using first-principles calculations. It is found that the MoSi2N4/Cs3Bi2I9 vdWHs possess a direct bandgap and type-II band alignment, with enhanced optical absorption and tunable electronic properties. Additionally, more vdWHs with different band alignments are explored. The study provides a comprehensive theoretical understanding of perovskite-based heterostructures and their potential applications in optoelectronic devices.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Physical
Yuan Guo et al.
Summary: By using first-principles calculations, this study demonstrates that a BP/MoSi2P4 van der Waals heterostructure exhibits a direct band gap and a typical type-II band alignment, which enables effective separation of photogenerated electron-hole pairs. Compared to a MoSi2P4 monolayer, the BP/MoSi2P4 heterostructure shows significantly enhanced hole carrier mobility and optical absorption intensity. The predicted photoelectric conversion efficiency (PCE) for the BP/MoSi2P4 heterostructure reaches up to 22.2%, competing with existing two-dimensional heterostructures. These findings suggest that the 2D BP/MoSi2P4 heterostructure has potential for new optoelectronic nanodevices.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Chuong Nguyen et al.
Summary: We have successfully synthesized single-layer metallic Janus MoSH and semiconducting MoSi2N4 and investigated their electronic and interfacial features. The metal/semiconductor MoSH/MoSi2N4 contact forms a p-type Schottky contact with a small Schottky barrier. Furthermore, we found that the electronic structure and interfacial features of the MoSH/MoSi2N4 vdW heterostructure can be tuned under strain and electric fields.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Jing Xu et al.
Summary: The electronic, optical, and photocatalytic properties of Au-adsorbed MoSi2N4 systems are predicted to change significantly, offering greater potential in different fields based on first principles calculations.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Engineering, Electrical & Electronic
Hosein Alavi-Rad
Summary: In this study, the electronic and optical properties of MoSi2N4 monolayer under mechanical strain were investigated through first-principle calculations. The results showed that the band gap, effective mass of carriers, and light absorption coefficient of the monolayer can be controlled by strain. The findings have significant implications for strain engineering of two-dimensional materials and their applications in optoelectronic devices.
SEMICONDUCTOR SCIENCE AND TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Dapeng Huang et al.
Summary: This study demonstrates the enhancement of exciton-phonon coupling in 2D MoSi2N4 material and the first realization of strong coupling between exciton and phonon at room temperature. It is of great significance for exploring strongly correlated many-body quantum states and their applications in quantum systems.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Nsajigwa Mwankemwa et al.
Summary: In this study, (MoSi2N4)(5-n)/(MoSiGeN4)(n) in-plane heterostructures were designed and studied using first-principles density functional theory calculations. These heterostructures were found to be dynamically stable and have potential as photocatalysts for photocatalytic CO2 reduction. By tuning the n value, selective catalytic reduction reactions can be achieved on these structures.
RESULTS IN PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Chengwei Xiao et al.
Summary: This study systematically investigates the adsorption behaviors of environmental gas molecules on two-dimensional MoSi2N4 monolayers. The results reveal that the gas molecules are physically adsorbed on the monolayers with small charge transfer. The introduction of N vacancy enhances the interaction between gas molecules and the substrate. The study also provides a theoretical reference for other related two-dimensional materials in the field of gas sensors, catalysts, and toxic gas disposal.
Article
Chemistry, Multidisciplinary
Mihir Ranjan Sahoo et al.
Summary: This study demonstrates the structural, electronic, and catalytic properties of two-dimensional VGe2N4 and NbGe2N4 monolayers for the hydrogen evolution reaction (HER). The HER activity of these monolayers can be tuned through strain and doping strategies. The findings suggest that VGe2N4 and NbGe2N4 monolayers have great potential as electrocatalysts for HER.
Article
Materials Science, Multidisciplinary
Ghulam Hussain et al.
Summary: First-principles calculations are used to study the structural stability and spintronics properties of Janus MoGeSiP2As2 and WGeSiP2As2 monolayers. The results show that these structures have high cohesive energies, stable phonon modes, reduced direct bandgaps, and large spin-split states. Breaking the mirror symmetry in the Janus monolayer structures leads to spin splitting.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Engineering, Electrical & Electronic
Zhen Cui et al.
Summary: The magnetic and electronic properties of metal atoms adsorbed on the MoSi2N4 monolayer were studied using density functional theory. The results showed that the behavior of the MoSi2N4 monolayer varied depending on the type of metal adsorbed. Charge transfer between the metal atoms and MoSi2N4 was observed. The adsorbed metal atoms on the MoSi2N4 system have the potential to be used in spintronic and vacuum electron emission nanodevices.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Chemistry, Physical
Zhangyin Wang et al.
Summary: This article reports a new two-dimensional material, VSi2N4, with high specific capacity and full battery open-circuit voltage, which shows great potential as an anode material for LIBs or NIBs.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Yi Ding et al.
Summary: The recent discovery of MoSi2N4 nanosheet has enhanced the study of layered MA(2)Z(4) materials. Through first-principles calculations, researchers have investigated the stability and band characteristics of MoN2X2Y2 nanosheets, as well as the band alignment in van der Waals heterostructures formed by MoN2X2Y2 and MoSi2N4 nanosheets.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Hao Ma et al.
Summary: A novel 2D semiconductor, MoSi2N4 monolayer, has been successfully synthesized and shows promising potential for applications in nanoelectronic devices and catalysis. This study investigates the intrinsic point defects in MoSi2N4 monolayer, including vacancies, antisites, and adatoms, and analyzes their thermodynamic stabilities and electronic properties. The presence of certain defects leads to interesting properties, such as recombination centers, p-type and n-type conducting characters, and unusual resistance-temperature dependence behavior. The migration behavior of point defects is also studied, revealing the relative stability and detectability of different defects. This work provides valuable insights for defect engineering in MoSi2N4 monolayer and its family of materials.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Che Chen Tho et al.
Summary: This study demonstrates that the vdWH family composed of MoSi2N4 and WSi2N4 monolayers has the potential to develop high-performance ultrathin excitonic solar cells and photonics devices. MoSi2N4/(InSe, WSe2) are identified as Type II vdWHs with exceptional excitonic solar cell power conversion efficiency reaching over 20%. Additionally, the (Mo,W)Si2N4 vdWH family exhibits strong optical absorption in both the visible and UV regimes, with exceedingly large peak UV absorptions over 40% in (Mo,W)Si2N4/alpha(2)-(Mo,W)Ge2P4 vdWHs.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Chemistry, Physical
Yabei Wu et al.
Summary: The synthesized MoSi2N4 is demonstrated to be an ideal 2D semiconductor with robust band edge states protected from environmental chemical coupling effects. Its quasiparticle and excitonic properties can be modulated through nonlocal dielectric screening effects.
NPJ COMPUTATIONAL MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Yin-Ti Ren et al.
Summary: In this study, the researchers systematically investigate the properties of 18 MSi2N4 materials and highlight their spintronic properties and van der Waals heterostructures. The results suggest that these materials and their heterostructures have great potential for applications at room temperature.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
M. Kong et al.
Summary: In this study, the density functional theory and many-body perturbation theory were used to investigate the exciton physics and ultrafast exciton dynamics of 2D MoSi2N4 for the first time. The results show that MoSi2N4 has distinct excitonic properties, and a new approach for modulating the non-adiabatic effects of excitons was proposed.
MATERIALS TODAY PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Chao Lin et al.
Summary: This study presents an automated high-throughput workflow for screening high-efficiency photocatalytic OER catalysts. Through thermodynamic and photophysical property investigations, specific materials like β-ZrSi2N4 and β-HfSi2N4 are identified as efficient catalysts.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Wenwu Shi et al.
Summary: Septuple-atomic-layer MoSi2N4, due to its stable crystal structure, has emerged as a promising and non-precious energy conversion material. By introducing atomic vacancies, substitutions, and strains, the electronic properties of MoSi2N4 can be tailored to enhance hydrogen adsorption and improve its catalytic efficiency.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Chunling Zhang et al.
Summary: This study systematically investigates the stability, electronic, thermoelectric, and phonon transport properties of monolayer MoSi2N4 and MoGe2N4. The results show that both materials have large Seebeck coefficients and high carrier mobilities. Additionally, MoGe2N4 exhibits a significantly higher thermoelectric figure of merit (ZT) value compared to MoSi2N4, making it more suitable for thermoelectric applications.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Ghulam Hussain et al.
Summary: By using first-principles calculations, the structural stability and electronic properties of laterally stitched MoSi2N4/XSi2N4 two-dimensional heterostructures were investigated. The results showed that electronic and optical properties can be tuned through biaxial strain.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2022)
Article
Physics, Applied
Yifan Gao et al.
Summary: In this study, we investigated the electronic transport and photoelectric properties of MoSi2P4 monolayer (MSP ML) using first-principles calculations. We designed several nanodevices based on MSP ML and showed that they have excellent transport properties and photoelectric response. These findings highlight the potential application of MoSi2P4 monolayer in next-generation ultrathin flexible semiconductor nanodevices.
PHYSICAL REVIEW APPLIED
(2022)
Article
Engineering, Mechanical
Ming Xue et al.
Summary: The nonlinear elasticity and strain-tunable magnetocaloric effect of antiferromagnetic monolayer MnPS3 are demonstrated by multiscale modeling and simulations. A continuum constitutive model is formulated to describe the nonlinear and large-deformation elasticity of monolayer MnPS3. The study also reveals the anisotropic nature of the magnetocaloric effect in monolayer MnPS3, with in-plane biaxial strain enhancing the effect.
EXTREME MECHANICS LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Yijun Wang et al.
Summary: Magnetic two-dimensional materials show promise in nanoelectronic and spintronic device fabrication. The recent synthesis of the novel two-dimensional material MoSi2N4 has sparked interest in the XA2Z4 series of materials. Doping with 3d magnetic elements results in different magnetic arrangements. By replacing the Mo element with various transition metal elements, researchers identified multiple two-dimensional exchange scenarios and analyzed the significant on-site Coulomb interaction at 3d orbitals, which is closely related to the Mott transition and superexchange interaction.
Article
Materials Science, Multidisciplinary
Jiaren Yuan et al.
Summary: The optical properties of spin-valley coupled two-dimensional materials have been investigated and it is found that circularly polarized infrared light can induce valley-selective interband transitions, leading to a highly valley- and spin-polarized current. This discovery is significant for potential applications in information encoding, processing, and storage.
Article
Materials Science, Multidisciplinary
Dan Liang et al.
Summary: Motivated by the recently synthesized layered material MoSi2N4, this study investigates the excitonic response of quasiparticles in monolayer MoSi2N4. The results show that MoSi2N4 exhibits strong exciton binding energy and a wide optical band gap, which can be tuned by tensile strains. These findings suggest that MoSi2N4 could serve as a promising platform for robust emission with partially screened disturbance from the environment.
Article
Materials Science, Multidisciplinary
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.
Review
Biochemical Research Methods
Raluca-Elena Munteanu et al.
Summary: This review critically examines studies published in the last 10 years on electrochemical sensors made with 2D materials for monitoring small molecular compounds in biological systems, discussing their potential wearability or in vivo use and the biocompatibility of 2D materials. It evaluates the possibility of wider application of such sensors on/in the human body.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Nanoscience & Nanotechnology
Jingnan Zheng et al.
Summary: Two-dimensional materials have been developed into various high-performance catalysts, but utilizing them to develop stable and active nonprecious hydrogen evolution reaction (HER) catalysts still faces challenges. Machine learning (ML) screening accelerated by genetic programming (GP) was used to predict the values of hydrogen adsorption Gibbs free energy and discover active catalysts like NbSi2N4 and VSi2N4 with good stability and performance.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Physics, Multidisciplinary
Yingmei Li et al.
Summary: The effectiveness of strain engineering in modulating the electronic and magnetic properties of MSi2N4 (M = V, Cr) monolayers, from a new family of layer-structured 2D vdW materials, was explored. VSi2N4 exhibits half-metallic ferromagnetic character, whereas CrSi2N4 is prone to be antiferromagnetic.
ANNALEN DER PHYSIK
(2021)
Article
Physics, Applied
Jun Zhao et al.
Summary: The study investigated the impact of MoSi2N4/CrCl3 heterostructure on valley-dependent properties, showing that the magnetic proximity effect can enhance valley splitting and valley-contrasting transport properties. The valley-dependent properties of MoSi2N4 monolayer are predicted to be robust, protected by the outermost N-Si sublayers.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
Yanli Wang et al.
Summary: Our first-principles investigation reveals that VN2X2Y2 nanosheets can form stable structures with intrinsic ferromagnetism and valley polarization, exhibiting characteristics like band inversion and quantum anomalous Hall effect under strain modulation. These materials show potential applications in electronics, spintronics, and valleytronics.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
Liemao Cao et al.
Summary: This study investigates van der Waals heterostructures composed of MoSi2N4 contacted by graphene and NbS2 monolayers using first-principles density functional theory calculations. The results reveal an ultralow Schottky barrier height at the MoSi2N4/NbS2 contact, beneficial for nanoelectronics applications, and show that the Schottky barrier height at the MoSi2N4/graphene contact can be modulated through interlayer distance or external electric fields, opening up opportunities for reconfigurable and tunable nanoelectronic devices.
APPLIED PHYSICS LETTERS
(2021)
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)
Article
Chemistry, Physical
Chengwei Xiao et al.
Summary: The study systematically screened single non-precious transition metal (TM) and non-metal (NM) atom catalysts supported by N- and defective MoSi2N4 for hydrogen evolution reaction (HER), and found that the single O/P/Fe/Nb atom doped N-(Si-) defective MoSi2N4 monolayer exhibited excellent HER performance.
APPLIED SURFACE SCIENCE
(2021)
Article
Physics, Multidisciplinary
Xiao-Shu Guo et al.
Summary: Experimentally synthesized MoSi2N4 is a piezoelectric semiconductor that can be effectively tuned by strain to modulate electronic structures and transport coefficients, with significant influence from spin-orbital coupling. A strain of about 0.96 can effectively enhance the n-type ZT (e) due to changes in conduction band extrema and strength.
Article
Physics, Applied
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.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Chemistry, Physical
Yuping Chen et al.
Summary: Inspired by recent experimental advances, this work explored the electrocatalytic feature of a new family of 2D materials in oxygen reduction reaction using DFT calculations. Through computational predictions, several promising electrocatalysts were identified with exceptional activity and low overpotential, showing potential for future applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Wenzhe Zhou et al.
Summary: The study demonstrates the spin-orbit coupling and valley-related properties of the monolayer WSi2N4 family, showing that changing the stacking can result in a Rashba spin-orbit field for controlling the spin direction of electrons. The characteristics of a Rashba semiconductor can be utilized for spin/valley Hall effects and manipulation of multiple degrees of freedom of electrons in monolayer materials.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Asha Yadav et al.
Summary: This study systematically investigated a newly proposed family of two-dimensional materials, with three promising candidate materials identified for photovoltaic applications, photocatalytic CO2 reduction, and spin-transport-based applications, each showing specific advantages based on their optical properties, band gaps, and activation for respective applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Jinfeng Zhao et al.
Summary: The study proposes a method to enhance the separation of photoexcited charge carriers in 2D photocatalysts through stacking engineering, using MoSi2N4 as an example to demonstrate the significant role of stacking-induced electric polarization in altering electronic properties and suppressing recombination rates. Furthermore, it is found that catalytic performance can be further controlled through vertical strain.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Materials Science, Multidisciplinary
San-Dong Guo et al.
Summary: The study investigates the intrinsic piezoelectricity of monolayer MoSi2N4 and WSi2N4, finding that they exhibit the same structural dependence on piezoelectric strain and stress coefficients. Among the 22 monolayers studied, certain materials with specific structures, such as alpha(1)-CrSi2P4, show promising piezoelectric properties, making them suitable for experimental exploration in the field of piezoelectricity.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Nanoscience & Nanotechnology
Zhen Cui et al.
Summary: The study demonstrates that the electronic properties of MoSi2N4 can be effectively tuned by organic molecule doping, enhancing its performance in nanoelectronic devices.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2021)
Article
Physics, Multidisciplinary
Xianghe Liu et al.
Summary: The theoretical investigation on MoSi2P4 monolayer reveals its stable 2D nature with a direct band gap, high carrier mobility, and potential for band gap transition and semiconductor-metal transition under strain and electric field effects. These findings suggest promising applications in opto-electronic devices and photovoltaic materials.
Review
Chemistry, Physical
Xin Qian et al.
Summary: Recent advances in simulation tools and experimental techniques have led to new insights on phonon transport and scattering in materials, as well as the discovery of new thermal materials with ultrahigh or low thermal conductivity. Future directions include engineering phonons towards desired thermal properties in solid-state materials.
Article
Physics, Multidisciplinary
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)
Article
Chemistry, Multidisciplinary
Hui Yao et al.
Summary: The study shows that MoSi(2)Z(4) (Z = P, As) have excellent potential with good mechanical, electronic, and optical properties, making them suitable for nanoscale electronic and optoelectronic devices.
Article
Physics, Applied
Qingyun Wu et al.
Summary: The study shows that bandgap engineering of bilayer MoSi2N4 and WSi2N4 can be effectively achieved through strain and external electric field. Strain can lead to a transition from an indirect bandgap to a direct bandgap, while an electric field can cause a semiconductor to metal transition.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Jiu Chen et al.
Summary: The new 2D MA(2)Z(4) materials exhibit diverse properties and potential in terms of dynamic stability, electronic properties, and surface reactivity, showing promise for applications such as electronics, spintronics, and catalysts.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Jiali Wang et al.
Summary: This study investigated the electronic and optical properties of MoSTe/MoGe2N4 vdWH under different configurations and found that it exhibits both semimetal and direct band gap semiconductor behaviors. The absorption coefficient of MoSTe/MoGe2N4 vdWH significantly increases compared to the two monolayers, and its electronic structure and absorption coefficient can be manipulated by applying biaxial strains and changing interlayer distances. MoSTe/MoGe2N4 vdWH is considered as an excellent candidate for high-performance optoelectronic devices.
Article
Physics, Applied
Junsheng Huang et al.
Summary: This study presents first-principles quantum-transport simulations on the performance limits of n- and p-type sub-5-nm monolayer MoSi2N4 MOSFETs. The results show that the on-state current in MoSi2N4 MOSFETs can be effectively controlled by gate and underlap length, as well as doping concentration. The optimized on-state currents for n-type devices meet the requirements of both high-performance and low-power applications according to the International Technology Roadmap for Semiconductors (ITRS).
PHYSICAL REVIEW APPLIED
(2021)
Article
Materials Science, Multidisciplinary
Rui Chen et al.
Summary: Fluorinated MoSi2N4 demonstrated stable structure and varied optical properties, with increased light absorption and transmittance after fluorination. The facile fluorination process allows for property adjustment, expanding MoSi2N4 applications in electronics, optoelectronics, and photocatalysis.
RESULTS IN PHYSICS
(2021)
Article
Chemistry, Physical
Xiaodong Zhou et al.
Summary: This study proposes a general scheme for realizing topological magneto-valley phase transitions and investigates the sign change of valley-dependent Berry phase effects using valley-half-semiconducting VSi2N4 as an example. By manipulating external factors such as biaxial strain, electric field, and correlation effects, it leads to quantized versions of valley anomalous transport phenomena, providing insights for controlling valley degree of freedom and potential applications in multifunctional quantum devices in valleytronics and spintronics.
NPJ COMPUTATIONAL MATERIALS
(2021)
Article
Physics, Applied
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)
Article
Chemistry, Physical
Nguyen T. T. Binh et al.
Summary: In this study, ultra-thin van der Waals heterostructures were constructed between graphene and a new 2D Janus MoGeSiN4 material to investigate their interfacial electronic properties and tunable Schottky barriers. The results showed that the graphene/MoGeSiN4 heterostructures have high carrier mobility, making them suitable for high-speed nanoelectronic devices. Depending on the stacking patterns, either an n-type or a p-type Schottky contact is formed at the interface, which can be transformed under strain engineering and electric field.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Avijeet Ray et al.
Summary: In this study, first-principles calculations were conducted on the monolayer MoSi2N4 to analyze the effects of N and Si vacancies on electronic structure and magnetism. It was found that N vacancies are more favorable than Si vacancies, and can be used for engineering the work function.
Article
Materials Science, Multidisciplinary
Wanying Li et al.
Summary: Superconductivity, an ordered phase of electronic state discovered in 1911, has been a fascinating topic in modern physics. Recent advances in sample fabrication have greatly promoted research in superconductivity, especially in the field of two-dimensional materials, where 2D Ising superconductors have sparked immense interests. These unconventional 2D Ising superconductors hold promise in engineering topological superconductivity and investigation of quantum computing.
MATERIALS TODAY PHYSICS
(2021)
Article
Chemistry, Physical
Bohayra Mortazavi et al.
Summary: The study reveals that CrC2N4, MoC2N4, and WC2N4 monolayers are semiconductors with desirable thermal, dynamical, and mechanical stability. CrC2N4 monolayer exhibits excellent absorption of visible light, along with incredibly high elastic modulus and tensile strength.
MATERIALS TODAY ENERGY
(2021)
Article
Multidisciplinary Sciences
Lei Wang et al.
Summary: Researchers have proposed a method to construct MA(2)Z(4) monolayers with a septuple-atomic-layer structure, predicting 72 compounds that are thermodynamically and dynamically stable with diverse electronic properties. Among the predicted compounds, some exhibit topological nontriviality, ferromagnetic semiconductor behavior, Ising superconductivity, or unique spin-valley properties, providing a promising avenue for further experimental exploration.
NATURE COMMUNICATIONS
(2021)
Article
Physics, Condensed Matter
Xiaoshu Guo et al.
Summary: This study predicts Janus MSiGeN4 (M = Zr and Hf) monolayers from beta-MA(2)Z(4), which exhibit dynamic, mechanical and thermal stabilities. These monolayers are indirect band-gap semiconductors and show nonmonotonic behavior in energy gap with biaxial strain. The potential applications include piezoelectric properties and photocatalytic applications.
JOURNAL OF SEMICONDUCTORS
(2021)
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.
Article
Materials Science, Multidisciplinary
Yanmei Zang et al.
Summary: The study found that introducing N vacancies in 2D MSi2N4 can significantly enhance its hydrogen evolution reaction catalytic activity, especially in 2D WSi2N4, N vacancies can yield a hydrogen adsorption Gibbs free energy superior to that of Pt. By introducing specific atoms, the HER activity of 2D MSi2N4 can be significantly triggered, providing new insights for designing more efficient HER catalysts.
PHYSICAL REVIEW MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Yadong Yu et al.
Summary: This study explores novel Janus structures based on the two-dimensional material MoSi2N4, which exhibit excellent stability and potential in photocatalytic applications. By constructing Janus structures, the separation of photoexcited electrons and holes is enhanced, altering the band alignment and providing driving force for water redox reactions. Surface N vacancy effectively reduces energy demand, allowing for a self-sustained catalytic process under light conditions.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
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
(2021)
Article
Physics, Applied
Md Rakibul Karim Akanda et al.
Summary: The recent demonstration of MoSi2N4 has sparked interest in two-dimensional materials, including monolayers with ferromagnetic and semiconducting properties. Calculations have shown that the Curie temperatures of VSi2P4 and VSi2N4 are above room temperature.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Yi Ding et al.
Summary: This study systematically explores the structural stability and electronic properties of 4d/5d MSi2N4 nanosheets, revealing 12 stable nanosheets with versatile behaviors. The identified nanosheets show promising potential for applications in electronics, spintronics, and valleytronics.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Chao-chao Jian et al.
Summary: The 2D MoSi2N4 material shows high optical absorption efficiency, especially in the visible region. Tensile strain significantly increases the lifetime and mean free path of photogenerated carriers, leading to excellent optoelectronic properties.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Yibo Liu et al.
Summary: Through first-principles calculations, promising valley-contrasting physics is identified in single-layer CrSi2N4 and CrSi2P4, where significant valley spin splitting is observed, leading to the coexistence of spin and valley Hall effects.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Cuong Nguyen et al.
Summary: The study investigates the structural and electronic features of the BP/MoGe2N4 heterostructure, showing its multiple structurally stable stacking configurations and direct band gap semiconductor properties with type-II band alignment. It demonstrates the potential for modulating band gap and alignment with an external electric field and vertical strain, as well as enhancing optical absorption in both visible-light and ultraviolet regions, suggesting strong potential for solar cell applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Yuyan Liu et al.
Summary: The study introduces a new family of 2D MA(2)Z(4) materials and identifies seven stable and highly active monolayers with potential as hydrogen evolution reaction (HER) catalysts. The study also establishes the criteria for identifying novel HER catalysts based on the lowest unoccupied state energy (E-LUS) of the MA(2)Z(4) basal plane.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Nanoscience & Nanotechnology
Qingfang Li et al.
Summary: In this study, first-principles calculations were performed to investigate the mechanical properties of monolayer MoSi2N4, revealing its remarkable elastic moduli and ideal tensile strengths compared to monolayer MoS2. The critical strains and failure mechanisms of MoSi2N4 are found to exhibit interesting similarities and differences when compared to MoS2.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2021)
Article
Physics, Multidisciplinary
Mohaddeseh Norouzi Azizabad et al.
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.
Article
Instruments & Instrumentation
Kai Li et al.
Summary: Novel sensors, pressure sensors and strain sensors, were fabricated using the same materials and similar processes with high sensitivity and broad working range. The sensors can detect human activities such as breathing and wrist pulsing, making them suitable for wearable electronic devices for human health monitoring.
SMART MATERIALS AND STRUCTURES
(2021)
Article
Engineering, Electrical & Electronic
Huiqin Zhao et al.
Summary: Research on the application of two-dimensional MA(2)Z(4) materials as transistor channel materials is lacking, however, experimental and computational studies have shown that WGe2N4 may be a competitive alternative that meets high-performance requirements.
ACS APPLIED ELECTRONIC MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Rajibul Islam et al.
Summary: By using first-principles modeling, this study investigates the spin-dependent electronic structures of MSi2Z4 (M = Mo or W, Z = N or As) materials, revealing intriguing properties such as large spin-split states and 100% spin polarization in monolayer MSi2N4. Additionally, it is found that spin polarization can be induced in bilayer materials via an external electric field.
Article
Chemistry, Multidisciplinary
Luo Yan et al.
Summary: This study investigates the superconducting properties of single-layer transition metal di-nitrides, and proposes enhancement strategies through surface passivation and light atom substitution. The findings provide insights into tuning superconductivity and suggest a promising pathway for next-generation nanoelectronics with 2D superconductors.
Article
Materials Science, Multidisciplinary
Zhenwei Wang et al.
Summary: In this study, the electronic properties of monolayer MoSi2N4 were theoretically investigated through first-principles calculations and symmetry analyses. The spin-orbital coupling and horizontal mirror symmetry were found to play crucial roles in determining the band splitting and spin polarization of the material. A three-band tight-binding model was developed to describe the low-energy quasiparticle states of monolayer MoSi2N4, which showed a consistent plasmon mode with the results of first-principles calculations. This model provides a foundation for future theoretical and numerical investigations in the MoSi2N4 family materials, paving the way for potential applications in spintronics and plasmonics.
Article
Materials Science, Multidisciplinary
Xiaotian Sun et al.
Summary: The newly synthesized 2D MoSi2N4 material shows promising performance, potentially serving as an alternative to traditional MoS2 to extend Moore's law beyond the sub-5 nm scale.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
D. K. Pham
Summary: Van der Waals heterostructures based on 2D layered materials show promise in designing optoelectronic devices and improving charge injection efficiency, especially when incorporating graphene contacts, which can alter contact types and reduce Schottky barriers.
Article
Materials Science, Multidisciplinary
Si Li et al.
Summary: Electronic correlations can drive 2D transition metal compounds into various interesting ground states with rich magnetic, topological, and valley features. The existence of a quantum anomalous Hall insulator phase and intrinsic valley polarization for electrons in certain phases, which can be switched by reversing the magnetization direction, provide new perspectives for spintronic and valleytronic applications based on these materials.
Article
Materials Science, Multidisciplinary
Xiangyu Feng et al.
Summary: Single-layer VSi2P4 demonstrates valley-related multiple Hall effect and spontaneous valley polarization. Under external strain, it can exhibit the long-sought valley-polarized quantum anomalous Hall effect.
Article
Materials Science, Multidisciplinary
Xiaolin Cai et al.
Summary: A two-dimensional vertical MoSe2/MoSi2N4 vdWH with excellent electronic and optical properties has been designed. The vdWH responds well to strain and external electric fields, showing transitions between different bandgap characteristics. This vdWH can enhance the performance of MoSe2 MLs in optoelectronic devices and expand the application of MoSi2N4 MLs.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Physical
Yao Luo et al.
Summary: This study systematically evaluated the catalytic performance of a series of MSi2N4 monolayers in the electrochemical N-2 reduction reaction through density functional theory calculations, and identified TiSi2N4 and TaSi2N4 as highly potential and promising electrocatalysts. Thorough NRR mechanism investigations showed that the NRR process proceeds via a Mars-van Krevelen mechanism, with calculated limiting potentials of -0.41 and -0.46 V for TiSi2N4 and TaSi2N4, respectively.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Materials Science, Multidisciplinary
Meng Tian et al.
Summary: This study identifies a two-dimensional layered nitridosilicate, SnSi2N4, with hexagonal structure, demonstrating its thermodynamic stability, dynamic stability, semiconducting behavior, high absorption of ultraviolet light, and chemical stability in aqueous solution. The material exhibits promising properties for various applications, such as in optoelectronics and environmental protection.
Article
Chemistry, Physical
Tingting Zhong et al.
Summary: The model of sliding ferroelectricity proposed by researchers has been experimentally confirmed in a series of two-dimensional van der Waals bilayers and multilayers. They have explored a combination of high-mobility semiconductors and ferroelectricity with relatively high polarizations, aiming to achieve efficient computing-in-memory and energy harvesting.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Materials Science, Multidisciplinary
San-Dong Guo et al.
Summary: The study introduces a Janus monolayer SrAlGaSe4 with piezoelectric properties, showing a transition from normal insulator to topological insulator under biaxial strain, leading to the formation of a piezoelectric quantum spin Hall insulator. The research demonstrates that the nontrivial band topology of SrAlGaSe4 monolayer can be maintained within the strain range of 1.01 to 1.16, with coexisting piezoelectricity and topological orders.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Engineering, Electrical & Electronic
Han Zhang et al.
Summary: Research shows that monolayer MoS2 FETs with 5 nm gate length perform well in low-power applications but poorly in high-performance devices. After the introduction of negative capacitance dielectric layer, ML MoS2 p-DGFETs can meet the requirements for LP applications until the gate length scales down to 3 nm.
ACS APPLIED ELECTRONIC MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Lei Kang et al.
Summary: The study found that differences in structural details of MoSi2N4 may lead to differences in second harmonic generation intensity and response to strain. Second harmonic generation can be used as a simple technique to identify the structural details of this system. Additionally, the study investigated the strain-regulation mechanism of MoSi2N4 derivatives, including anomalous SHG responses under strain for certain derivatives, which differ from other known 2D materials. These findings hold significance for nonlinear optics and optoelectronics research in this novel 2D material system.
Article
Chemistry, Multidisciplinary
Bowen Li et al.
Summary: A novel 2D family, MSi2CxN4-x, has been designed based on density-functional theory, with stable monolayers found to exhibit tunable magnetic and electronic properties depending on the arrangement of carbon atoms. This finding suggests that the physical properties of 2D systems can be engineered through compositional and structural adjustments, offering guidance for the development of novel 2D materials with tailored properties for diverse applications.
Article
Chemistry, Multidisciplinary
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.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Khang D. Pham et al.
Summary: Graphene-based van der Waals (vdW) heterostructures with weak vdW interactions can maintain the intrinsic electronic properties of graphene and TMN monolayers. The studied GR/MGN and GR/MSN heterostructures exhibit different types of Schottky contacts, and the transformation between contact types can be achieved through electric gating.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
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.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
San-Dong Guo et al.
Summary: Janus two-dimensional (2D) materials with unique properties have been predicted and experimentally verified in a new 2D MA(2)Z(4) family. The predicted MSiGeN4 (M = Mo and W) monolayers exhibit stability and interesting properties, enriching the field of 2D materials research.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Jia-Shu Yang et al.
Summary: This study systematically investigated the electronic properties and nonlinear optical response of MA(2)Z(4) using a hybrid HSE06 functional, revealing the impact of different component substitutions on lattice constants and the second-harmonic generation responses of various MA(2)Z(4) composites.
Article
Chemistry, Physical
Haoqiang Ai et al.
Summary: The centimeter-scale MoSi2N4 monolayer has been successfully synthesized and shown to exhibit high mobility as a semiconductor. MoSi2N4 and its analogues, MoSi2P4 and MoSi2As4, are potential 2D materials for valleytronics with unique spin-valley coupling properties. Intrinsic inversion symmetry breaking and strong spin-orbital coupling in the inequivalent valleys contribute to valley-contrasting transport properties and optical selection rules, with potential applications in strain-tunable valleytronics.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Chen Yang et al.
Summary: This study predicts that monolayer MoSi2N4 and its derivative MoSi2As4 may exhibit valley-contrasting properties that can be described by a three-band low-power Hamiltonian. These materials have the potential applications in valleytronic devices, especially in multiple information processing, marking a theoretical advance in the field.
Article
Materials Science, Multidisciplinary
Hongxia Zhong et al.
Summary: This study systematically investigates the effect of vertical strain on the electronic structure of bilayer materials, and reveals that under a certain compressive strain, semiconductor materials can transition to metallic materials due to energy shifts of electronic states. Similar transitions are observed in other strained bilayers, showing potential for strain-induced engineering of electronic properties.
Article
Materials Science, Multidisciplinary
Qirui Cui et al.
Summary: Materials like the VSi2N4 monolayer exhibit ferromagnetism, semiconductor properties, and valley-contrasting physics, making them potential candidates for spintronic and valleytronic applications. Under specific conditions, these materials can achieve valley polarization and display anomalous valley Hall effects.
Review
Chemistry, Multidisciplinary
Dengfeng Li et al.
ADVANCED FUNCTIONAL MATERIALS
(2020)
Review
Materials Science, Multidisciplinary
David J. Buckley et al.
Article
Nanoscience & Nanotechnology
Alexey Lipatov et al.
ADVANCED ELECTRONIC MATERIALS
(2020)
Article
Multidisciplinary Sciences
Yuan Huang et al.
NATURE COMMUNICATIONS
(2020)
Article
Chemistry, Physical
Li Tingwei et al.
Article
Nanoscience & Nanotechnology
Qianhui Shi et al.
NATURE NANOTECHNOLOGY
(2020)
Article
Multidisciplinary Sciences
Yi-Lun Hong et al.
Article
Physics, Multidisciplinary
San-Dong Guo et al.
Article
Chemistry, Physical
San-Dong Guo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Materials Science, Multidisciplinary
Si Li et al.
Article
Materials Science, Multidisciplinary
In Jun Park et al.
Article
Chemistry, Physical
Hecheng Han et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Materials Science, Multidisciplinary
Qihua Gong et al.
INTERNATIONAL JOURNAL OF SMART AND NANO MATERIALS
(2020)
Article
Physics, Multidisciplinary
Jing-Yang You et al.
PHYSICAL REVIEW RESEARCH
(2020)
Review
Chemistry, Multidisciplinary
Deepika Tyagi et al.
Article
Materials Science, Multidisciplinary
Pol Torres et al.
Article
Chemistry, Physical
Yajing Sun et al.
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Chemistry, Physical
Shuang Zheng et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2019)
Article
Physics, Multidisciplinary
Xiaomeng Liu et al.
Review
Chemistry, Multidisciplinary
Yu Zhang et al.
ADVANCED MATERIALS
(2019)
Article
Physics, Multidisciplinary
J. Bekaert et al.
PHYSICAL REVIEW LETTERS
(2019)
Article
Physics, Multidisciplinary
Chong Wang et al.
PHYSICAL REVIEW LETTERS
(2019)
Article
Multidisciplinary Sciences
M. M. Otrokov et al.
Article
Materials Science, Multidisciplinary
Brahmanandam Javvaji et al.
PHYSICAL REVIEW MATERIALS
(2019)
Article
Materials Science, Multidisciplinary
Xiaoying Zhuang et al.
Review
Chemistry, Multidisciplinary
Y. Li et al.
MATERIALS TODAY CHEMISTRY
(2019)
Article
Mechanics
Min Yi et al.
Review
Chemistry, Multidisciplinary
Renhao Dong et al.
Article
Multidisciplinary Sciences
Alexey Lipatov et al.
Article
Multidisciplinary Sciences
Zaiyao Fei et al.
Article
Chemistry, Physical
Zaiyao Fei et al.
Article
Nanoscience & Nanotechnology
Zhou Jiang et al.
ACS APPLIED MATERIALS & INTERFACES
(2018)
Review
Physics, Applied
Xiaotian Wang et al.
APPLIED PHYSICS REVIEWS
(2018)
Article
Materials Science, Multidisciplinary
Peng-Fei Liu et al.
Article
Materials Science, Multidisciplinary
Lucas Webster et al.
Review
Nanoscience & Nanotechnology
Chaojie Cui et al.
NPJ 2D MATERIALS AND APPLICATIONS
(2018)
Review
Multidisciplinary Sciences
Xiao-Lin Wang
NATIONAL SCIENCE REVIEW
(2017)
Article
Multidisciplinary Sciences
Bevin Huang et al.
Review
Chemistry, Physical
Shasha Zhu et al.
ADVANCED ENERGY MATERIALS
(2017)
Article
Chemistry, Multidisciplinary
Liang Dong et al.
Article
Chemistry, Multidisciplinary
Lei Li et al.
Review
Engineering, Mechanical
Deji Akinwande et al.
EXTREME MECHANICS LETTERS
(2017)
Article
Physics, Applied
Rui Zhang et al.
APPLIED PHYSICS LETTERS
(2016)
Article
Chemistry, Multidisciplinary
Baojie Feng et al.
Review
Multidisciplinary Sciences
K. S. Novoselov et al.
Article
Materials Science, Multidisciplinary
Houlong L. Zhuang et al.
Review
Chemistry, Multidisciplinary
Min Yi et al.
Article
Chemistry, Multidisciplinary
Michael N. Blonsky et al.
Article
Materials Science, Multidisciplinary
E. Torun et al.
Article
Multidisciplinary Sciences
Andrew J. Mannix et al.
Review
Chemistry, Physical
Min Yi et al.
JOURNAL OF MATERIALS CHEMISTRY A
(2015)
Article
Physics, Applied
Xiaokun Gu et al.
APPLIED PHYSICS LETTERS
(2014)
Article
Physics, Applied
Qun Wei et al.
APPLIED PHYSICS LETTERS
(2014)
Article
Chemistry, Physical
Min Yi et al.
Article
Chemistry, Multidisciplinary
Yongqing Cai et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2014)
Article
Chemistry, Multidisciplinary
Kai Liu et al.
Article
Materials Science, Multidisciplinary
Yongqing Cai et al.
Article
Chemistry, Multidisciplinary
Min Yi et al.
Article
Multidisciplinary Sciences
A. K. Geim et al.
Article
Multidisciplinary Sciences
Gwan-Hyoung Lee et al.
Article
Chemistry, Physical
Karel-Alexander N. Duerloo et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2012)
Article
Materials Science, Multidisciplinary
Tianshu Li
Article
Chemistry, Multidisciplinary
Yongjie Zhan et al.
Article
Chemistry, Multidisciplinary
Simone Bertolazzi et al.
Review
Chemistry, Physical
Alexander A. Balandin
Article
Materials Science, Multidisciplinary
L. Lindsay et al.
Article
Physics, Multidisciplinary
C. A. Marianetti et al.
PHYSICAL REVIEW LETTERS
(2010)
Book Review
Multidisciplinary Sciences
Prashanth Ak
Article
Physics, Applied
S. Ghosh et al.
APPLIED PHYSICS LETTERS
(2008)
Review
Chemistry, Multidisciplinary
Juergen Hafner
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2008)
Article
Chemistry, Multidisciplinary
Alexander A. Balandin et al.
Article
Multidisciplinary Sciences
Changgu Lee et al.
Article
Computer Science, Interdisciplinary Applications
J. Hafner
COMPUTER PHYSICS COMMUNICATIONS
(2007)
Article
Multidisciplinary Sciences
KS Novoselov et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2005)
Article
Multidisciplinary Sciences
KS Novoselov et al.
