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InfoMat, 2026, 8
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Predicted novel Janus γ-Ge2 XY ( X / Y = S, Se, Te) monolayers with Mexican-hat dispersions and high carrier mobilities

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J. Phys. D: Appl. Phys., 2023, 56, 135302
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Computational investigation on 2D Janus MSiGeN4 with structural, electronic properties, quantum capacitance, and photocatalytic activity

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Computational Exploration of Stable 4d/5d Transition-Metal MSi2N4 (M = Y–Cd and Hf–Hg) Nanosheets and Their Versatile Electronic and Magnetic Properties

Yi Ding and Yanli Wang

J. Phys. Chem. C, 2021, 125, 19580
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Induced out-of-plane piezoelectricity and giant Rashba spin splitting in Janus WSiZ3H (Z = N, P, As) monolayers toward next-generation electronic devices

Tuan V. Vu, Bui D. Hoi, A. I. Kartamyshev and Nguyen N. Hieu

Journal of Applied Physics, 2024, 135
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Enhanced Thermoelectric Performance in 2D ZrX2N4 (X = Si, Ge) Monolayers: A First‐Principles Study

Chayan Das, Dibyajyoti Saikia and Satyajit Sahu

Physica Status Solidi (b), 2026, 263
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Effective strategy of enhancing piezoelectricity in stable CrSiN4Sn semiconductor monolayers by atom-layer-pair effect

Qi-Wen 绮雯 He 贺, Dan-Yang 丹阳 Zhu 朱, Jun-Hui 俊辉 Wang 王, He-Na 贺娜 Zhang 张, Xiao 骁 Shang 尚, Shou-Xin 守鑫 Cui 崔 and Xiao-Chun 晓春 Wang 王

Chinese Phys. B, 2025, 34, 057701
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First-Principles Calculations of 2D Janus WSSiN2Monolayer for Photocatalytic Water Splitting

Gang Yuan, Xinguo Ma, Jiajun Liao, Tian Xie, Qihai Xie and Zhongyong Yuan

ACS Appl. Nano Mater., 2023, 6, 1956
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Electronic and valley properties of Janus TeMSiX2 ( M=Mo,W ; X=P,As ) monolayers and TeMSiX2/CrI3 heterostructures

Yang Yang, Tao Li, Shi-quan Feng and Hong-Yan Lu

Phys. Rev. B, 2024, 109
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A Janus WSi2P2As2 monolayer: A promising material for detecting NO2 with excellent sensitivity, selectivity, reversibility, and humidity resistance

Hang He, Mi-Mi Dong, Yue Niu, Zong-Liang Li, Chuan-Kui Wang and Xiao-Xiao Fu

Sensors and Actuators B: Chemical, 2025, 422, 136712
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Exploration of the Two-Dimensional Ising Magnetic Materials in the Triangular Prismatic Crystal Field

Shuhang Chen, Wenjing Xu, Yueyue Ning and Ke Yang

J. Phys. Chem. C, 2024, 128, 556
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Spin State Manipulation: A Key to High-Efficiency Electrocatalytic Oxygen Evolution Reaction

Sha Gong, Junyuan Yang, Gong Chen, Qihui Zhao, Tingting Cui, Zehua Guo, Derang Cao and Yunhe Zhao

ACS Appl. Mater. Interfaces, 2026, 18, 17313
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Second harmonic generation and electronic properties in the septuple-atomic-layer MA2Z4 family

Yanyan Qian, Yadong Wei, Weiqi Li, Weiquan Tian, Jianqun Yang, XingJi Li and Jinluo Cheng

Physica E: Low-dimensional Systems and Nanostructures, 2025, 169, 116202
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Two-dimensional Janus XZnAZ2 (X = Cl, Br, I; A = Al, Ga, In; Z = S, Se) monolayers with large electrostatic potential difference and excellent photocatalytic properties: First-principles calculations

Yutong Zou, Bo Sun, Junyan Li, Liuxu Zhao, Chunlei Kou, Miao Zhang and Yuanye Tian

Applied Surface Science, 2025, 693, 162806
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First-principles study on photocatalytic properties of janus monolayer MoSi2N2P2 and MoSi2P2As2

Hui Zhang, Chun-Qi Zhou and Fan-Shun Meng

Solid State Communications, 2023, 370, 115220
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Unveiling the phonon scattering limited intrinsic carrier mobility and electronic, mechanical, and piezoelectric properties of novel Janus CrBZS2 (Z = N, P, As) monolayers

Le V Hung, Nguyen N Hieu, Le T T Phuong, A I Kartamyshev, Huynh V Phuc and Tuan V Vu

J. Phys. D: Appl. Phys., 2026, 59, 055301
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A new family of septuple-layer 2D materials of MoSi2N4-like crystals

T. Latychevskaia, D. A. Bandurin and K. S. Novoselov

Nat Rev Phys, 2024, 6, 426
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Strain-tuned electronic and valley-related properties in Janus monolayers of SWSiX2 (X = N, P, As)

Yunxi 云西 Qi 戚, Jun 俊 Zhao 赵 and Hui 晖 Zeng 曾

Chinese Phys. B, 2024, 33, 096302
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Coexisting Giant Tunable Valley Polarization and Piezoelectric Response in FeO2SiGeN2 Monolayers

Jianke Tian, Jia Li, Hengbo Liu, Yan Li, Linyang Li, Jun Li, Guodong Liu and Junjie Shi

ACS Appl. Nano Mater., 2024, 7, 28519
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Interface and strain engineering on the electronic properties of two-dimensional Janus In2Se2S/WGeSiX4 (X = N, P, As) van der Waals heterostructures

Jianfei Wang, Zhiqiang Li, Liang Ma and Yipeng Zhao

J. Phys. D: Appl. Phys., 2025, 58, 205301
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Electric field enhancement effect on Raman spectra in two-dimensional MoSi2N4, TiSi2N4 and MoGe2As4 monolayers

Zexiang Deng

Solid State Communications, 2022, 358, 114994
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Thermoelectric properties of monolayer MoSi2N4 and MoGe2N4 with large Seebeck coefficient and high carrier mobility: A first principles study

Chunling Zhang, Feng Wei, Xinhui Zhang, Wen Chen, Changcheng Chen, Jinbo Hao and Baonan Jia

Journal of Solid State Chemistry, 2022, 315, 123447
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First principles calculations investigation of optoelectronic properties and photocatalytic CO2 reduction of (MoSi2N4)5-n/(MoSiGeN4)n in-plane heterostructures

Nsajigwa Mwankemwa, Hong-En Wang, Ting Zhu, Qiang Fan, Fuchun Zhang and Weibin Zhang

Results in Physics, 2022, 37, 105549
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Sub‐5 nm 2D Semiconductor‐Based Monolayer Field‐Effect Transistor: Status and Prospects

Sanju Meena, Neetika Sharma and Jyotika Jogi

Physica Status Solidi (a), 2023, 220
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Tunable Schottky Barrier and Contact Types in Janus MoSH/MoGeSiN4 Contacts

Longfei Zhou, Yi Fang, Xiaohui Hu, Tao Xu and Litao Sun

ACS Appl. Electron. Mater., 2025, 7, 4793
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Enhanced performance of Janus XMSiY2 (X=S, Se; M=Mo, W; and Y=N, P) monolayers for photocatalytic water splitting via strain engineering

Somayeh Gholami Rudi, Samaneh Soleimani-Amiri, Amirhossein Rezavand and Nayereh Ghobadi

Journal of Physics and Chemistry of Solids, 2023, 181, 111561
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High-efficiency photocatalyst based on a MoSiGeN4/SiC heterojunction

Xin Huang, Liang Xu, Bin Xiao, Kejun Dong, Kai Yang, Liangxing Li and Ling-Ling Wang

J Mater Sci, 2022, 57, 16404
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Interfacial Electronic Properties and Tunable Contact Types in Graphene/Janus MoGeSiN4 Heterostructures

Nguyen T. T. Binh, Cuong Q. Nguyen, Tuan V. Vu and Chuong V. Nguyen

J. Phys. Chem. Lett., 2021, 12, 3934
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Adsorption behavior of Janus MoSiGeN4 monolayer for gas-sensing application with high sensitivity and reuse

Xueping Li, Ting Li, Jianye Wang, Xiaohui Song and Congxin Xia

Physica E: Low-dimensional Systems and Nanostructures, 2023, 153, 115777
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Novel two-dimensional HfSi2N4 monolayer with excellent bandgap modulation and electronic properties modulation

Mingyang Yang, Haiming Huang and Wenyu Zhao

J Mol Model, 2024, 30
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Tuning transport coefficients of monolayer MoSi2N4 with biaxial strain*

Xiao-Shu Guo and San-Dong Guo

Chinese Phys. B, 2021, 30, 067102
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Raman activity, piezoelectric response, and carrier mobility in two-dimensional Janus TiGeZ3H (Z= N, P, As) semiconductors: A first-principles prediction

A.I. Kartamyshev, Nguyen N. Hieu, N.A. Poklonski, Nguyen V. Hieu, Tuan V. Vu, A.A. Lavrentyev and Huynh V. Phuc

Materials Science in Semiconductor Processing, 2025, 187, 109102
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Electronic and spintronic properties of Janus MSi2PxAsy ( M = Mo, W) monolayers

Amirhossein Rezavand, Nayereh Ghobadi and Behnaz Behnamghader

Phys. Rev. B, 2022, 106
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DFT Investigation of 2D MoSiGeN4/MoSe2 Heterostructures with High Carrier Mobility: Implications for High-Performance Ultrathin Solar Cells

Li Fang, Xu Liu, Jisong Hu, Hui Lv, Xinguo Ma and Guangzhao Wang

ACS Appl. Nano Mater., 2024, 7, 23907
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Ferroelasticity tuned anisotropic Rashba effect and negative Poisson’s ratio in Janus wurtzite monolayer M2XY (M = Zn, Cd; X, Y = S, Se, Te)

Zhuang Ma, Hongquan Song, Yujie Wang, Chunyan Wang, Wenjie Wang, Heng Yu, Jingwen Jiang and Yiguo Xu

Computational Materials Science, 2025, 246, 113511
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Theoretical predicted topological properties of Janus SrInGaTe4

Yiwen Gao, Xiaojing Gao, Xiaobin Niu and Jianwei Wang

Physica E: Low-dimensional Systems and Nanostructures, 2025, 172, 116257
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Two-dimensional type-II XMoSiP2/BAs (X= S, Se) van der Waals heterostructures for highly efficient excitonic solar cells

Nayereh Ghobadi, Somayeh Gholami Rudi and Samaneh Soleimani-Amiri

Solar Energy Materials and Solar Cells, 2024, 269, 112773
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Electrical Properties of Double-Gate Field-Effect Transistor Based on MA2N4 (M = Ti, Zr, and Hf; A = Si, Ge, and Sn) Monolayers

Nona Hasani, Majid Shalchian, Ashkan Rajabi-Maram and Shoeib Babaee Touski

IEEE Trans. Electron Devices, 2023, 70, 5415
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Defect engineered Janus MoSiGeN4 as highly efficient electrocatalyst for hydrogen evolution reaction

Chunling Zhang, Yazhao Yuan, Baonan Jia, Feng Wei, Xinhui Zhang, Ge Wu, Long Li, Changcheng Chen, Zhengqin Zhao, Feng Chen, Jinbo Hao and Pengfei Lu

Applied Surface Science, 2023, 622, 156894
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First-Principles Studies on Electrocatalytic Activity of Novel Two-Dimensional MA2Z4 Monolayers toward Oxygen Reduction Reaction

Yuping Chen, Shufang Tian and Qing Tang

J. Phys. Chem. C, 2021, 125, 22581
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Raman activity and high electron mobility of piezoelectric semiconductor GaSiX2 (X = N, P, and As) toward flexible nanoelectronic devices

Tuan V Vu, Nguyen T Hiep, Vo T T Vi, Huynh V Phuc, A I Kartamyshev and Nguyen N Hieu

J. Phys. D: Appl. Phys., 2025, 58, 105309
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Structural, electronic, piezoelectric, and optical properties of Janus MoSi2Z3X (Z/X = N, P, As) monolayers

Rui Huang, Yanzong Wang and Qinfang Zhang

Computational Condensed Matter, 2025, 44, e01109
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Janus MoSi2P2As2 Decorated with Transition Metal Atoms as Efficient Bifunctional HER/OER and OER/ORR Electrocatalysts

Yazhao Yuan, Chunling Zhang, Xunzhe Zhang, Baonan Jia, Xinhui Zhang, Ge Wu, Jinbo Hao and Pengfei Lu

ACS Appl. Mater. Interfaces, 2025, 17, 12248
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Novel Janus group III chalcogenide monolayers Al2XY2 (X/Y = S, Se, Te): first-principles insight onto the structural, electronic, and transport properties

Tuan V Vu and Nguyen N Hieu

J. Phys.: Condens. Matter, 2022, 34, 115601
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Electronic structure and magnetic properties of monolayer MoSiGeN4 with adsorbed 3d transition metal

Bin Xu, Mengran Yang, Siyuan Jia, Wenxu Zhao, Jiaming Fang, Siyu Du, Shanshan Ma, Yusheng Wang and Lin Yi

Phys. Scr., 2026, 101, 115921
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Insights into selected 2D piezo Rashba semiconductors for self-powered flexible piezo spintronics: material to contact properties

Fathima IS, Manish Kumar Mohanta and Abir De Sarkar

J. Phys.: Condens. Matter, 2023, 35, 253001
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Quantum Transport of Sub-10 nm Monolayer WGe2N4 Transistors

Huiqin Zhao, Guofeng Yang, Yushen Liu, Xifeng Yang, Yan Gu, Chunlei Wei, Zhijian Xie, Qi Zhang, Baoan Bian, Xiumei Zhang, Xinxia Huo and Naiyan Lu

ACS Appl. Electron. Mater., 2021, 3, 5086
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First-principles study of Janus MoXNH (X = S, Se, Te) monolayers for next-generation energy and information devices

Xiaolin Cai, Zhixiang Pan, Mao Li, Rui Li, Chunxiang Zhao, Zexi Xu, Junke Yuan and Yu Jia

Computational Materials Science, 2026, 268, 114665
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Polarization-enhanced sub-5 nm Janus MoSiGeN4 FET for high-performance and low-power applications

Mi-Mi Dong, Chuan-Kui Wang, Xiao-Xiao Fu and Ming-Wen Zhao

Journal of Materials Science & Technology, 2026, 255, 47
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The van der Waals MoSi2N4 materials family

Tianya Zhou, Chuan Xu and Wencai Ren

Nat Rev Mater, 2025, 10, 907
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First-principles insights on electronic and transport properties of novel ternary AlMX3 and quaternary Janus Al2M2X3Y3 (M= Ge, Sn; X/Y= S, Se, Te) monolayers

Tuan V. Vu, A.I. Kartamyshev, Minh D. Nguyen, Khang D. Pham, Thuat T. Trinh, Nguyen P. Nhuan and Nguyen D. Hien

Materials Science in Semiconductor Processing, 2024, 181, 108590
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Dual modulation of the Schottky barrier in a graphene/Janus WSSiN2 heterostructure: Interlayer spacing and external electric field

Libo Wang, Xinguo Ma, Jiaqi Wang, Biao Ma, Guanyan Xiao, Jingjing Lu and Jeongmin Hong

Diamond and Related Materials, 2026, 162, 113273
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Strain effects on the topological and valley properties of the Janus monolayer VSiGeN4

San-Dong Guo, Wen-Qi Mu, Jia-Hao Wang, Yu-Xuan Yang, Bing Wang and Yee-Sin Ang

Phys. Rev. B, 2022, 106
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First-principles prediction of two-dimensional Janus XMInZ2(X = Cl, Br, I; M = Mg, Ca; and Z = S, Se, and Te) with promising spintronic and photocatalytic properties

Samaneh Soleimani-Amiri, Nayereh Ghobadi, Amirhossein Rezavand and Somayeh Gholami Rudi

Applied Surface Science, 2023, 623, 157020
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2D Janus MoSSe/MoGeSiN4 vdW heterostructures for photovoltaic and photocatalysis applications

Qian-Kui Zhang, Wen-Hui Zhao, Zhong-Peng Zhou, Lie-Mao Cao, Wen-Jin Yin, Xiao-Lin Wei, Zhen-Kun Tang and Hui Zhang

Journal of Alloys and Compounds, 2023, 938, 168708
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The electronic and piezoelectric properties of Janus monolayer MSi2X2Y2: A first-principles study

Le Li, Depeng Zhang, Dongyan Liu and Hui Zhang

Physica E: Low-dimensional Systems and Nanostructures, 2025, 169, 116211
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Transition metal atoms anchored in the two-dimensional material MoGe2P2As2: an excellent electrocatalyst with multifunctionality

Na Zhang, Wei Jiang and Mi Shen

J Appl Electrochem, 2025, 55, 2419
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Theoretical predicted Janus SrAlGaTe4: effects of strain and electric field and its topological properties

Xiaojing Gao, Xiaobin Niu and Jianwei Wang

Phys. Scr., 2024, 99, 065909
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Two-dimensional MSi2N4 monolayers and van der Waals heterostructures: Promising spintronic properties and band alignments

Yin-Ti Ren, Liang Hu, Yuan-Tao Chen, Yi-Jian Hu, Jiang-Long Wang, Peng-Lai Gong, Hu Zhang, Li Huang and Xing-Qiang Shi

Phys. Rev. Materials, 2022, 6
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Tunable Schottky contact at the graphene/Janus SMoSiN2 interface for high-efficiency electronic devices

Son-Tung Nguyen, Cuong Q Nguyen, Yee Sin Ang, Huynh V Phuc, Nguyen N Hieu, Nguyen T Hiep, Nguyen M Hung, Le T T Phuong, Nguyen V Hieu and Chuong V Nguyen

J. Phys. D: Appl. Phys., 2023, 56, 045306
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Role of electron–phonon coupling in charge transport of Janus WBNX2 (X= S, Se, Te) monolayers: A first-principles analysis

Tuan V. Vu, Vo T.T. Vi, A.I. Kartamyshev, Huynh V. Phuc, Nguyen T. Hiep and Nguyen N. Hieu

Physica E: Low-dimensional Systems and Nanostructures, 2026, 178, 116466
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Switchable valley polarization and quantum anomalous Hall state in the VN2X2Y2 nanosheets (X = group-III and Y = group-VI elements)

Yanli Wang and Yi Ding

Applied Physics Letters, 2021, 119
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Type-I band alignment and strain-tunable electronic and optical properties of MoGe2N4/MoSiGeN4 heterostructures

Qasim J. Tarbool and Hamad Rahman Jappor

Computational Condensed Matter, 2026, 46, e01241
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Unveiling the Structural Stability and Optoelectronic Properties of Pristine and Janus Monolayers

Ata Ur Rahman, Ghulam Hussain, Ashfaq Ahmad, Kashif Hussain and Zhengbiao Ouyang

ACS Omega, 2025, 10, 19574
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Atomic precision tailoring of two-dimensional MoSi2N4 as electrocatalyst for hydrogen evolution reaction

Wenwu Shi, Guangqiang Yin, Sheng Yu, Tao Hu, Xinzhong Wang and Zhiguo Wang

J Mater Sci, 2022, 57, 18535
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Favourable bandgap energies of two-dimensional MgAl2X4 (X = S/Se/Te) semiconductors for solar water splitting: A first-principles investigation

Le T. Hoa, Cam-Tu D. Phan, Hai Pham-Van, Ta Minh Tuan Anh, Ung Thi Dieu Thuy, Huynh V. Phuc, Bui D. Hoi and Nguyen T. Hiep

Chemical Physics, 2026, 607, 113197
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Dipole-regulated bandgap and high electron mobility for bilayer Janus MoSiGeN4

Xiurui Lv, Heyuan Huang, Bangyao Mao, Guipeng Liu, Guijuan Zhao and Jianhong Yang

Applied Physics Letters, 2022, 120
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Manipulation of Valley and Spin Properties in Two-Dimensional Janus WSiGeZ4 (Z = N, P, As) through Symmetry Control

Sajjan Sheoran, Ankita Phutela, Ruman Moulik and Saswata Bhattacharya

J. Phys. Chem. C, 2023, 127, 11396
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Prediction of Semiconducting 2D Nanofilms of Janus WSi2P2As2 for Applications in Sub-5 nm Field-Effect Transistors

Mi-Mi Dong, Hang He, Yue Niu, Chuan-Kui Wang and Xiao-Xiao Fu

ACS Appl. Nano Mater., 2023, 6, 1541
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Unraveling the Emerging Photocatalytic, Thermoelectric, and Topological Properties of Intercalated Architecture MZX (M = Ga and In; Z = Si, Ge and Sn; X = S, Se, and Te) Monolayers

Rui Xiong, Xiangbin Chen, Yinggan Zhang, Zhou Cui, Jiansen Wen, Cuilian Wen, Jiong Wang, Bo Wu and Baisheng Sa

Langmuir, 2023, 39, 15837
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Promises and technological prospects of two-dimensional Rashba materials

Arjyama Bordoloi, A. C. Garcia-Castro, Zachary Romestan, Aldo H. Romero and Sobhit Singh

Journal of Applied Physics, 2024, 135
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Electronic and Excitonic Properties of MSi2Z4 Monolayers

Tomasz Woźniak, Umm‐e‐hani, Paulo E. Faria Junior, Muhammad S. Ramzan and Agnieszka B. Kuc

Small, 2023, 19
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Ab Initio Investigations of Optoelectronic and Transport Behavior of Mn and Eu‐Doped ZnxAxSiGeN4 Using GGA + U Functional: A Study for Optoelectronic Devices

Muhammad Irfan, M. M. Moharam, Ebraheem Abdu Musad Saleh, Ahmad M. Saeedi, Gideon F. B. Solre, Waseem Abbas, Adel A. El-Zahhar, Gamil A. A. M. Al-Hazmi, Sayed M. Eldin and Sana Ullah Asif

J Inorg Organomet Polym, 2024, 34, 3384
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Electronic and optical properties of two-dimensional Janus Sn0.5Ge0.5S monolayer

M.R. Ebrahimi, A. Banjafar and T. Vazifehshenas

Physica B: Condensed Matter, 2024, 683, 415891
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Strain‐induced effects on thermoelectric performance of layered LaCuOSe

Shan Feng, Xiaotao Zu, Liang Qiao and Haiyan Xiao

J Am Ceram Soc., 2024, 107, 2973
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The piezoelectricity of 2D Janus ZnBrI: Multiscale prediction

Liang Wang, Zhongkang Lin, Yujie Du, Jian Qiu, Xianping Chen and Jiabing Yu

Chemical Physics Letters, 2022, 794, 139506
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Janus XMPYS (X=Se, Te; M=Mo, W; Y Al, Ga) monolayers with enhanced spintronic properties and boosted solar-to-hydrogen efficiency for photocatalytic water splitting

Samaneh Soleimani-Amiri, Nayereh Ghobadi and Somayeh Gholami Rudi

International Journal of Hydrogen Energy, 2024, 72, 506
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Tunable Raman activity and enhanced piezoelectricity of AlGeZ2 (Z= N, P, and As) monolayers: A first-principles calculation

Tuan V. Vu, Vo T.T. Vi, Huynh V. Phuc, Nguyen P.Q. Anh, A.I. Kartamyshev and Nguyen N. Hieu

Ceramics International, 2025, 51, 19562
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Oxygenation of Janus group III monochalcogenides: First-principles insights into GaInXO ( X=S , Se, Te) monolayers

Tuan V. Vu, Vo T. T. Vi, Huynh V. Phuc, A. I. Kartamyshev and Nguyen N. Hieu

Phys. Rev. B, 2021, 104
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Computational exploration and screening of novel Janus MA2Z4 (M = Sc-Zn, Y-Ag, Hf-Au; A=Si, Ge; Z=N, P) monolayers and potential application as a photocatalyst

Weibin Zhang, Woochul Yang, Yingkai Liu, Zhiyong Liu and Fuchun Zhang

Front. Phys., 2022, 17
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Janus piezoelectric ZrSiZ3H (Z= N, P, As) semiconductors with Raman response and high carrier mobility by a first-principles investigation

Tuan V. Vu, Nguyen T. Hiep, Huynh V. Phuc, Bui D. Hoi, Tran P.T. Linh, A.I. Kartamyshev and Nguyen N. Hieu

Surfaces and Interfaces, 2024, 52, 104975
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Tunable valley-spin splitting in a Janus XMSiN2 monolayer (X=S, Se; M=Mo, Cr) and giant valley polarization via vanadium doping

Jun Zhao, Yunxi Qi, Can Yao and Hui Zeng

Phys. Rev. B, 2024, 109
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Z-scheme systems of ASi2N4 (A = Mo or W) for photocatalytic water splitting and nanogenerators

Jian Zeng, Liang Xu, Xin Luo, Tong Chen, Shuai-Hao Tang, Xin Huang and Ling-Ling Wang

Tungsten, 2022, 4, 52
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Development of CNOs/PANI-NTs/AuNPs nanocomposite as an electrochemical sensor and Z‐scheme photocatalyst for determination and degradation of ciprofloxacin

Hakimeh Teymourinia, Abbas Al-nayili, Hassan Abbas Alshamsi, Rojin Mohammadi, Esmail Sohouli and Mitra Gholami

Surfaces and Interfaces, 2023, 42, 103412
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Raman response, piezoelectricity, and transport properties of the two-dimensional Janus HfSiX3H (X=N/P/As) semiconductors: A first-principles study

Tuan V. Vu, Nguyen T. Hiep, Huynh V. Phuc, Bui D. Hoi, A. I. Kartamyshev and Nguyen N. Hieu

Phys. Rev. B, 2024, 110
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Engineering MoGe2P4 monolayers via surface substitution: A pathway to enhanced optoelectronic and thermal performance

Ghulam Hussain, Rajibul Islam, Muhammad Rizwan Khan, Ata Ur Rahman, Zheng Wang, Carmine Autieri and Xiaoguang Li

Applied Surface Science, 2025, 712, 164128
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Electronic structure and photocatalytic properties of Janus MXPY (M = Mo, W; X = S, Se; Y = Cl, Br) monolayers for high-efficiency overall water splitting

Reza Karimi, Saman Rahimi, Zahra Khodayari and Nayereh Ghobadi

Applied Surface Science, 2026, 727, 166005
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Symbolic Transformer Accelerating Machine Learning Screening of Hydrogen and Deuterium Evolution Reaction Catalysts in MA2Z4 Materials

Jingnan Zheng, Xiang Sun, Jiaxi Hu, ShiBin Wang, Zihao Yao, Shengwei Deng, Xiang Pan, Zhiyan Pan and Jianguo Wang

ACS Appl. Mater. Interfaces, 2021, 13, 50878
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Piezoelectricity of Janus BiTeX (X = Cl, Br, I) Monolayer: A First-Principles Study

Jian Qiu, Xiaodong Liu and Jiading Bao

IEEE Trans. Electron Devices, 2022, 69, 827
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Structure design and electrocatalytic applications of versatile Janus electrocatalysts

Xinghuan Liu, Jinsheng Lai, Tianwen Fang, Long Chen, Ke Yi, Shiyu Liu and Xin Jia

Fuel, 2025, 381, 133358
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Two-Dimensional Electron Gas in MoSi2N4/VSi2N4 Heterojunction by First Principles Calculation

Ruiling Gao, Chao Liu, Le Fang, Bixia Yao, Wei Wu, Qiling Xiao, Shunbo Hu, Yu Liu, Heng Gao, Shixun Cao, Guangsheng Song, Xiangjian Meng, Xiaoshuang Chen and Wei Ren

Chinese Phys. Lett., 2022, 39, 127301
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XMAY2/GaZ (X = Cl, Br; M = Mg, Ca; A = Ga, In; Y = S, Se; Z = As, P, Sb) heterojunctions: Z-scheme structures for enhanced photocatalytic hydrogen evolution

Nayereh Ghobadi, Somayeh Gholami Rudi and Samaneh Soleimani-Amiri

International Journal of Hydrogen Energy, 2025, 186, 152007
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Intrinsic ferromagnetism and restrictive thermodynamic stability in MA2N4 and Janus VSiGeN4 monolayers

Dibyendu Dey, Avijeet Ray and Liping Yu

Phys. Rev. Materials, 2022, 6
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Structural, electronic, and transport properties of Janus XMoSiP2 ( X = S, Se, Te) monolayers: a first-principles study

Nguyen T Hiep, Cuong Q Nguyen, N A Poklonski, C A Duque, Huynh V Phuc, D V Lu and Nguyen N Hieu

J. Phys. D: Appl. Phys., 2023, 56, 385306
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Hydrogen-bond coupled intrinsic dipoles driving tunneling barriers modulation in Janus WGeSiN4/MXene interfaces

Rui Xiong, Xinyi Wang, Jiaxiang Li, Yu Shu, Libin Chen, Cuilian Wen and Baisheng Sa

Materials Today Physics, 2026, 65, 102119
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Two-Dimensional Type-II BP/MoSi2P4 vdW Heterostructures for High-Performance Solar Cells

Yuan Guo, Jingjing Min, Xiaolin Cai, Liying Zhang, Chengyan Liu and Yu Jia

J. Phys. Chem. C, 2022, 126, 4677
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First-principles calculations to investigate stability, electronic and optical properties of fluorinated MoSi2N4 monolayer

Rui Chen, Dazhu Chen and Weibin Zhang

Results in Physics, 2021, 30, 104864
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First-principle study on quintuple-atomic-layer Janus MTeSiX2 (M= Mo, W; X=N, P, As) monolayers with intrinsic Rashba spin-splitting and Mexican hat dispersion

Amirhossein Rezavand and Nayereh Ghobadi

Materials Science in Semiconductor Processing, 2022, 152, 107061
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Predicting photovoltaic efficiency of two-dimensional Janus materials for applications in solar energy harvesting: A combined first-principles and machine learning study

Swarup Ghosh

Solar Energy Materials and Solar Cells, 2026, 295, 114010
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Structural, electronic, and transport properties of quintuple atomic Janus monolayers Ga2SX2 ( X= O, S, Se, Te): First-principles predictions

Nguyen N. Hieu, Huynh V. Phuc, A. I. Kartamyshev and Tuan V. Vu

Phys. Rev. B, 2022, 105
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Janus TiSi Z 3H ( Z = N, P, As) monolayers with large out-of-plane piezoelectricity and high electron mobility: first-principles study

Tuan V Vu, Kieu My Bui, Khanh V Hoang, A I Kartamyshev, Thi H Ho, A A Lavrentyev, Nguyen P Q Anh, Huynh V Phuc and Nguyen N Hieu

J. Phys. D: Appl. Phys., 2024, 57, 345304
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Phase-dependent electronic, optical, and phonon transport properties in ZrSi2N4 monolayers

Ghulam Hussain, Rajibul Islam, Ata Ur Rahman, Muhammad Rizwan Khan, Zheng Wang, Carmine Autieri and Xiaoguang Li

Phys. Rev. B, 2025, 112
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Tuning the electronic and piezoelectric properties of Janus Ga2XY (X/Y S, Se, Te) monolayers: A first-principles calculation

Shida Yao, Xinguo Ma, Chuyun Huang, Youyou Guo, Yijing Ren and Nan Ma

Materials Science in Semiconductor Processing, 2024, 178, 108367
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