Electronic structures and photovoltaic applications of vdW heterostructures based on Janus group-IV monochalcogenides: insights from first-principles calculations

Kai Cheng, Wenbo Hu, Xu Guo, Lifan Wu, Sandong Guo and Yan Su

Phys. Chem. Chem. Phys., 2023, 25, 5663
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As-based ternary Janus monolayers for efficient thermoelectric and photocatalytic applications

Poonam Chauhan, Jaspreet Singh and Ashok Kumar

J. Mater. Chem. A, 2023, 11, 10413
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A bifunctional GeC/SnSSe heterostructure for highly efficient photocatalysts and photovoltaic devices

Xinxin Jiang, Wenli Xie, Xuhui Xu, Quan Gao, Dongmei Li, Bin Cui, Desheng Liu and Fanyao Qu

Nanoscale, 2022, 14, 7292
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Regulating excitonic effects in non-oxide based XPSe3 (X = Cd, Zn) monolayers towards enhanced photocatalysis for overall water splitting

Amal Kishore, Harshita Seksaria, Anu Arora and Abir De Sarkar

Phys. Chem. Chem. Phys., 2023, 25, 20337
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Solar cells based on 2D Janus group-III chalcogenide van der Waals heterostructures

M. Bikerouin, O. Chdil and M. Balli

Nanoscale, 2023, 15, 7126
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Investigation of the mechanical and transport properties of InGeX3 (X = S, Se and Te) monolayers using density functional theory and machine learning

Yong-Bo Shi, Yuan-Yuan Chen, Hao Wang, Shuo Cao, Yuan-Xu Zhu, Meng-Fan Chu, Zhu-Feng Shao, Hai-Kuan Dong and Ping Qian

Phys. Chem. Chem. Phys., 2023, 25, 13864
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Monolayer polar metals with large piezoelectricity derived from MoSi2N4

Yan Yin, Qihua Gong, Min Yi and Wanlin Guo

Mater. Horiz., 2023, 10, 5177
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Large and anisotropic carrier mobility in monolayers of the MA2Z4 series (M = Cr, Mo, W; A = Si, Ge; and Z = N, P)

Achintya Priydarshi, Yogesh Singh Chauhan, Somnath Bhowmick and Amit Agarwal

Nanoscale, 2022, 14, 11988
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Janus monolayer HfSO with improved optical properties as a novel material for photovoltaic and photocatalyst applications

Vo D. Dat and Tuan V. Vu

New J. Chem., 2022, 46, 1557
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Enhanced vertical polarization and ultra-low polarization switching barriers of two-dimensional SnS/SnSSe ferroelectric heterostructures

Yun-Qin Li, Xin-Yu Wang, Shi-Yu Zhu, Dai-Song Tang, Qi-Wen He and Xiao-Chun Wang

J. Mater. Chem. C, 2022, 10, 12132
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Theoretical prediction of structural, mechanical, and electronic properties of Janus GeSnX2 (X = S, Se, Te) single-layers

Khang D. Pham

RSC Adv., 2021, 11, 36682
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Two-dimensional BiSbTeX2 (X = S, Se, Te) and their Janus monolayers as efficient thermoelectric materials

KM Sujata, Poonam Chauhan, Nidhi Verma, Rekha Garg Solanki and Ashok Kumar

Phys. Chem. Chem. Phys., 2024, 26, 27163
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A bright future for engineering piezoelectric 2D crystals

Peter C. Sherrell, Marco Fronzi, Nick A. Shepelin, Alexander Corletto, David A. Winkler, Mike Ford, Joseph G. Shapter and Amanda V. Ellis

Chem. Soc. Rev., 2022, 51, 650
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Theoretical study of piezoelectric and light absorption properties, and carrier mobilities of Janus TiPX (X = F, Cl, and Br) monolayers

Tong-Tong Yan, Guo-Xiang Zhou, Xiao-Long Jiang, Xu-Chen Qin and Jia Li

Phys. Chem. Chem. Phys., 2024, 26, 23998
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Ferro-piezoelectricity in emerging Janus monolayer BMX2 (M = Ga, In and X = S, Se): ab initio investigations

Djamel Bezzerga, El-Abed Haidar, Catherine Stampfl, Ali Mir and Mohammed Sahnoun

Nanoscale Adv., 2023, 5, 1425
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Two-dimensional Janus antimony chalcohalides for efficient energy conversion applications

Poonam Chauhan, Jaspreet Singh and Ashok Kumar

J. Mater. Chem. A, 2024, 12, 16129
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Giant intrinsic piezoelectricity in 2D hybrid organic–inorganic perovskites [C6H11NH3]2MX4 (M = Ge, Sn, Pb; X = Cl, Br, I)

Qiaoya Lv, Jian Qiu, Quan Wen, Da Li, Jie Liu, Dongling Li and Xingquan Yuan

Nanoscale, 2024, 16, 3714
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Large piezoelectric response in ferroelectric/multiferroelectric metal oxyhalide MOX2 (M = Ti, V and X = F, Cl and Br) monolayers

Mohammad Noor-A-Alam and Michael Nolan

Nanoscale, 2022, 14, 11676
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First principles study of 2D ring-Te and its electrical contact with a topological Dirac semimetal

Jaspreet Singh and Ashok Kumar

Nanoscale, 2023, 15, 5360
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Exploring the electronic band gap of Janus MoSeO and WSeO monolayers and their heterostructures

Vo Van On, Duy Khanh Nguyen, J. Guerrero-Sanchez and D. M. Hoat

New J. Chem., 2021, 45, 20776
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Enhanced electron transport and optical properties of experimentally synthesized monolayer Si9C15: a comprehensive DFT study for nanoelectronics and photocatalytic applications

Yuehua Xu and Daqing Li

Phys. Chem. Chem. Phys., 2024, 26, 21789
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Two-dimensional Janus SbTeBr/SbSI heterostructures as multifunctional optoelectronic systems with efficient carrier separation

Hong-yao Liu, Huan Yang and Yujun Zheng

Phys. Chem. Chem. Phys., 2024, 26, 6228
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Enhanced piezotronics by single-crystalline ferroelectrics for uniformly strengthening the piezo-photocatalysis of electrospun BaTiO3@TiO2 nanofibers

Bi Fu, Jianjie Li, Huaide Jiang, Xiaoli He, Yanmei Ma, Jingke Wang, Chaoyang Shi and Chengzhi Hu

Nanoscale, 2022, 14, 14073
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Rational design of 2D Janus P3m1 M2N3 (M = Cu, Zr, and Hf) and their surface-functionalized derivatives: ferromagnetic, piezoelectric, and photocatalytic properties

Heng Zhang, Frédéric Guégan, Junjie Wang and Gilles Frapper

Phys. Chem. Chem. Phys., 2024, 26, 14675
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A density functional theory study on the strain modulated electronic and photocatalytic properties of a GaSe monolayer for photocatalytic water splitting and artificial photosynthesis

Dipali Nayak and R. Thangavel

New J. Chem., 2022, 46, 11447
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Computational insights into structural, electronic, and optical properties of Janus GeSO monolayer

Thi-Nga Do, Nguyen N. Hieu, N. A. Poklonski, Nguyen Thi Thanh Binh, Cuong Q. Nguyen and Nguyen D. Hien

RSC Adv., 2021, 11, 28381
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Design of a noble-metal-free direct Z-scheme photocatalyst for overall water splitting based on a SnC/SnSSe van der Waals heterostructure

Xinxin Jiang, Quan Gao, Xuhui Xu, Ge Xu, Dongmei Li, Bin Cui, Desheng Liu and Fanyao Qu

Phys. Chem. Chem. Phys., 2021, 23, 21641
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Temperature-dependent magnetic properties of the room-temperature ferromagnetic Janus monolayer Fe2XY (X, Y = I, Br, Cl; X ≠ Y)

Chenhai Shen, Xueping Li, Tianxing Wang, Guangtao Wang and Congxin Xia

Nanoscale, 2023, 15, 12340
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Strain-tunable electronic structure and anisotropic transport properties in Janus MoSSe and g-SiC van der Waals heterostructure

Yu-Liang Liu, Wen-Kai Zhao, Ying Shi and Chuan-Lu Yang

Phys. Chem. Chem. Phys., 2021, 23, 9440
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Pentagonal CmXnY6–m–n (m = 2, 3; n = 1, 2; X, Y = B, N, Al, Si, P) Monolayers: Janus Ternaries Combine Omnidirectional Negative Poisson Ratios with Giant Piezoelectric Effects

Xiaowen Li, Fusheng Zhang, Jian Li, Zeping Wang, Zhengyong Huang, Jiabing Yu, Kai Zheng and Xianping Chen

J. Phys. Chem. Lett., 2023, 14, 2692
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Origin of strain tunability in flat valence band and ultrahigh shear piezoelectricity in superflexible non–van der Waals graphitic ScX monolayers ( X=P , As, Sb)

Harshita Seksaria, Arneet Kaur and Abir De Sarkar

Phys. Rev. B, 2023, 108
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First-principles calculations of improving carrier mobility for β-CsPbI3

Yong-Bo Shi, Ning Li, Hai-Kuan Dong, Shuo Cao, Ke-Ke Song, Zhu-Feng Shao and Ping Qian

Materials Science in Semiconductor Processing, 2023, 157, 107327
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Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

Xinying Ruan, Rui Xiong, Zhou Cui, Cuilian Wen, Jiang-Jiang Ma, Bao-Tian Wang and Baisheng Sa

Materials, 2022, 15, 4016
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Density Functional Theory Study of Inducing Piezoelectric Response via Functionalization of a Sc2C Nanosheet: Implications for Energy Conversion and Storage

Khaled E. El-Kelany, Safwat Abdel-Azeim, Oliver Kühn, Ahmed Elzatahry and Mohamed F. Shibl

ACS Appl. Nano Mater., 2023, 6, 14040
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Insights into electronic properties of strained two-dimensional semiconductors by out-of-plane bending

Daohong Chen, Leixi Wang, Yawei Lv, Lei Liao, Kenli Li and Changzhong Jiang

J. Phys.: Condens. Matter, 2023, 35, 284001
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Linear photogalvanic effects in Janus monolayer MoSSe with intrinsic defects

Jia Liu, Xiao Kun Ji, Miao Sun, Feng Chi, Luo Meng Chao and Yong Hong Ma

Optics & Laser Technology, 2023, 159, 108946
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Strain-Induced Activation of WSi2N2P2 2D Janus Structure as a Water Splitting Photocatalyst

Kourosh Rahimi and Alireza Z. Moshfegh

Surfaces and Interfaces, 2025, 72, 107126
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The flexible Janus X2PAs (X = Si, Ge and Sn) monolayers with in-plane and out-of-plane piezoelectricity

Yang Wu, Chun-Hua Yang, He-Na Zhang, Liang-Hui Zhu, Xin-Yu Wang, Yun-Qing Li, Shi-Yu Zhu and Xiao-Chun Wang

Applied Surface Science, 2022, 589, 152999
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Novel Two-Dimensional Janus MoSiGeN4 and WSiGeN4 as Highly Efficient Photocatalysts for Spontaneous Overall Water Splitting

Yadong Yu, Jian Zhou, Zhonglu Guo and Zhimei Sun

ACS Appl. Mater. Interfaces, 2021, 13, 28090
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Biaxial strain engineering of the electronic and optical properties of Ge2SeS monolayer: Promising for optoelectronic applications

Adil Marjaoui, Mohamed Ait Tamerd, Mustapha Diani, Abdesamad Aouni, Mounia Ajdour and Mohamed Zanouni

Computational Condensed Matter, 2022, 32, e00717
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Enhanced vertical piezoelectricity in nano-switch diamane structures by super-dipole-moment effect

Xiao Shang, He-Na Zhang, Si-Tong Liu, Dai-Song Tang, Qi-Wen He, Jun-Hui Wang, Dan-Yang Zhu, Fu-Chun Liu and Xiao-Chun Wang

Applied Physics Letters, 2024, 124
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Type-II SiPGaS/SnC-based heterostructures for flexible electronic and optical devices

Anwar Ali, Bin Lu, Wen Zhang and Ping Kwan Johnny Wong

Appl. Phys. A, 2025, 131
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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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First-principles study on the strain-modulated structure and electronic properties of janus tin oxide selenide monolayer

Gang Guo, Jiewen Min, Zhongxiang Xie, Hao Wu and Yong Zhang

Micro and Nanostructures, 2022, 166, 207212
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Data-Driven Materials Informatics for Novel Piezoelectric Janus-Type Nanomaterials Discovery

Woohyun Hwang, Seung-Hyun Victor Oh, Jungho Shin, Aloysius Soon, Su-Hyun Yoo and Woosun Jang

J. Phys. Chem. Lett., 2024, 15, 6451
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Effects of Vacancy and Ti Doping in 2D Janus MoSSe on Photocatalysis

Yi-Ming Zhao, Pengju Ren, Xing-Yu Ma, James P. Lewis, Qing-Bo Yan and Gang Su

J. Phys. Chem. C, 2021, 125, 11939
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Quaternary 2D monolayer Cu2Cl2Se2Hg2: anisotropic carrier mobility and tunable bandgap for transistor and photocatalytic applications

Yuehua Xu, Qianqian Long, Qiang Zeng, Daqing Li and Pengfei Li

J. Phys.: Condens. Matter, 2023, 35, 395303
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Piezoelectric performance regulation from 2D materials to devices

Zhiyu Yao, Jinxia Deng and Lihong Li

Matter, 2024, 7, 855
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Stabilities, electronic and piezoelectric properties of blue-phosphorene-phase MXs (M = Ge, Sn; X = S, Se, Te) nanotubes

Tao Zhou, Yuxin Dai, Jinyan Du and Yucheng Huang

Applied Surface Science, 2022, 599, 153995
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Spontaneous hydrogen production on well-designed two-dimensional MoSi2N2P2 Janus structure: N-face versus P-face tuning

Kourosh Rahimi and Alireza Z. Moshfegh

International Journal of Hydrogen Energy, 2024, 51, 1060
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Strain Engineering of the Electronic and Optical Properties of Predicted Janus CaFBr Monolayer for Potential Use in Optoelectronic Devices: A Density Functional Theory Study

Adil Marjaoui, Mohamed Ait Tamerd, Mustapha Abdellaoui and Mohamed Zanouni

Physica Status Solidi (b), 2023, 260
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A theoretical study on elastic, electronic, transport, optical and thermoelectric properties of Janus SnSO monolayer

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

J. Phys. D: Appl. Phys., 2021, 54, 475306
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Two-dimensional Janus NbOClI: A promising anisotropic unit for multifunctional optoelectronic devices

Degao Xu, Leimeng Lv, Meng Ge, Jiansheng Dong, Shanjun Chen, Chenjie Dai, Xianzhuo Wang, Jiahua Xu, Jianing Tan, Wenxing Yang and Gang Ouyang

Phys. Rev. B, 2025, 111
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Stability, optoelectronic and thermal properties of two-dimensional Janus α-Te2S

Jaspreet Singh, Mukesh Jakhar and Ashok Kumar

Nanotechnology, 2022, 33, 215405
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Coexistence of in- and out-of-plane piezoelectricity in Janus XSSiN2 (X = Cr, Mo, W) monolayers

Jiajun Liao, Xinguo Ma, Gang Yuan, Peng Xu and Zhongyong Yuan

Applied Surface Science, 2023, 610, 155586
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First-principles prediction of stable Janus BiSbC3 monolayer with tunable electronic and optical properties under strain

Mohamed Zanouni, Adil Marjaoui, Mohamed Ait Tamerd, Abdessamad Aouni and Mustapha Diani

Computational Condensed Matter, 2022, 31, e00687
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First-principles study on electronic and thermoelectric properties of Janus monolayers AsXC3 (X: Sb, Bi)

Adil Marjaoui, Mohamed Ait Tamerd, Achraf El Kasmi, Mustapha Diani and Mohamed Zanouni

Computational Condensed Matter, 2022, 30, e00623
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Out-of-plane ferroelectricity and piezoelectricity in few-layer tin disulfide nanobelts exfoliated from an inorganic–organic hybrid

Peihua Wang, Shuai Sun, Wenguang Zhao, Jun Wang, Shifeng Jin, Xiaofang Lai and Jikang Jian

Chemical Engineering Journal, 2025, 504, 158239
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In-plane ferroelectric monolayer TlNbX4O and its application in bulk photovoltaic effect

Shiying Shen, Haoqiang Ai, Yandong Ma, Haoyun Bai, Xuejian Du, Feifei Li and Hui Pan

Applied Physics Letters, 2023, 123
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Exploring the ZrXO (X = S and Se) Janus Monolayers for Optoelectronic and Spintronic Applications

Duy Khanh Nguyen, J. Guerrero-Sanchez and Do Minh Hoat

Physica Rapid Research Ltrs, 2023, 17
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High-Throughput Computing of Janus Chalcogenides as Photocatalysts and Piezoelectric Materials for Overall Water Splitting

Jiali Wang, Xiuwen Zhao, Guichao Hu, Xiaobo Yuan, Junfeng Ren and Siyun Qi

J. Phys. Chem. Lett., 2024, 15, 12309
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Electronic properties and modulation effects on edge-modified GeS₂ nanoribbons

Jing-Hui Li, Sheng-Guo Cao, Jia-Ning Han, Zhan-Hai Li and Zhen-Hua Zhang

Acta Phys. Sin., 2024, 73, 056102
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NbS2/MoSi2P4 van der Waals Heterojunction: Flexibly tunable electrical contact properties and potential applications for Schottky junction devices

Z.H. Li, J.N. Han, S.G. Cao and Z.H. Zhang

Applied Surface Science, 2023, 636, 157766
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The enhanced vertical piezoelectricity in Janus C3HFX (X = Si and Ge) monolayers based on the born effective charges dipole-moment

Xiao Shang, Dai-Song Tang, Qi-Wen He, He-Na Zhang, Fu-Chun Liu and Xiao-Chun Wang

Applied Physics Letters, 2023, 123
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Piezoelectric, Thermoelectric, and Photocatalytic Water Splitting Properties of Janus Arsenic Chalcohalide Monolayers

Poonam Chauhan and Ashok Kumar

ACS Omega, 2024, 9, 33723
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HfXO (X = S and Se) Janus monolayers as promising two-dimensional platforms for optoelectronic and spintronic applications

Duy Khanh Nguyen, J. Guerrero-Sanchez and D. M. Hoat

Journal of Materials Research, 2023, 38, 2600
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Regulating the Electronic and Magnetic Properties of a SnSSe Janus Monolayer toward Optoelectronic and Spintronic Applications

Tuan V. Vu, Viet Ha Chu, Jonathan Guerrero-Sanchez and D. M. Hoat

ACS Appl. Electron. Mater., 2024, 6, 3647
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Intrinsic Valley Splitting and Direct-to-Indirect Band Gap Transition in Monolayer HfZrSiCO2

Jiajun Lu, Fanyao Qu, Hao Zeng, Alexandre Cavalheiro Dias, David S. Bradão and Junfeng Ren

J. Phys. Chem. Lett., 2022, 13, 5204
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Electrical contact properties of 2D metal-semiconductor heterojunctions composed of different phases of NbS₂ and GeS₂

Jing-Hui Li, Sheng-Guo Cao, Jia-Ning Han, Zhan-Hai Li and Zhen-Hua Zhang

Acta Phys. Sin., 2024, 73, 137102
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Physical properties of monolayer Mn(BiTeS)2 and its applications in sub–3 nm spintronic devices

Zhanhai Li, Jianing Han, Shengguo Cao, Zhenhua Zhang and Xiaoqing Deng

Phys. Rev. B, 2023, 108
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Theoretical investigations of Sc2C based functionalized MXenes for applications in nanoelectromechanical systems

Shi-Yu Zhu, Yun-Qin Li, Xin-Yu Wang, Dai-Song Tang, Qi-Wen He, Cailong Liu, Fu-Chun Liu and Xiao-Chun Wang

Physica E: Low-dimensional Systems and Nanostructures, 2023, 145, 115491
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First-Principles Calculations of Monolayer h-BN Nanosheets and Nanoribbons with Ultrahigh Phonon-Limited Hole Mobility for Wide Band Gap P-Channel Transistors

Huili Shan, Qinming He, Xin Luo and Yue Zheng

J. Phys. Chem. C, 2023, 127, 9278
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DFT Calculations of Trilayer Heterostructures from MoSe2, PtS2 Monolayers in Different Orders with Promising Optoelectronic Properties

Jassim M. Al-ıssawe and Idrees Oreibi

Journal of the Turkish Chemical Society Section A: Chemistry, 2024, 11, 405
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Effects of uniaxial/biaxial/triaxial strain on carrier lifetime and photocatalytic performance of ZnO: S–Se system

Qingyu Hou, Yulan Gu and Chunwang Zhao

J Mater Sci, 2022, 57, 14918
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DFT Insights into Layer-Dependent Superhigh Piezoelectricity and Carrier Mobility in 2D Hexagonal SnNBr

Pradip Nandi and Abir De Sarkar

J. Phys. Chem. C, 2023, 127, 23551
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Intrinsic piezoelectric ferromagnetism with large out-of-plane piezoelectric response in Janus monolayer CrBr1.5I1.5

San-Dong Guo, Xiao-Shu Guo, Xiu-Xia Cai, Wen-Qi Mu and Wen-Cai Ren

Journal of Applied Physics, 2021, 129
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Bridge role of weak chemical bonding in photocatalytic performance of asymmetric 2H-MoS2/BiOCl Janus heterostructure

Te-Te Xu, Pan Zhao, Zhen-Yi Jiang, Ji-Ming Zheng and Yan-Ming Lin

Mater. Res. Express, 2022, 9, 025902
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High-Throughput Computational Screening and Machine Learning Modeling of Janus 2D III–VI van der Waals Heterostructures for Solar Energy Applications

Baisheng Sa, Rong Hu, Zhao Zheng, Rui Xiong, Yinggan Zhang, Cuilian Wen, Jian Zhou and Zhimei Sun

Chem. Mater., 2022, 34, 6687
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2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications

Deobrat Singh, Nabil Khossossi, Wei Luo, Abdelmajid Ainane and Rajeev Ahuja

Materials Today Advances, 2022, 14, 100225
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Strong Optical Excitation and High Thermoelectric Performance in 2D Holey‐Phosphorene Monolayer

Nabil Khossossi, Deobrat Singh, Wei Luo and Rajeev Ahuja

Energy Tech, 2022, 10
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Geometrical stability, electrical contact and optical properties for ZrX2(X = Cl, Br, I) /Zr2Cl2 semiconductor-metal heterojunctions

Yu Yi, Zhanhai Li, Shengguo Cao, Jianing Han and Zhenhua Zhang

Applied Surface Science, 2025, 682, 161730
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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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Biaxial strain effects on electronic, transport, and thermoelectric properties of SnX2 (X = Se, Te) and Janus SnSeTe 1T-monolayers

Efracio Mamani Flores, Victor José Ramirez Rivera, Elisban Juani Sacari Sacari, Julio R. Sambrano, Mario Lucio Moreira and Maurício Jeomar Piotrowski

Materials Today Communications, 2024, 39, 108830
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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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2D janus niobium oxydihalide NbOXY: Multifunctional piezoelectric semiconductor for electronics, photonics, sensing and sustainable energy applications

Tong Su, Ching Hua Lee, San-Dong Guo, Guangzhao Wang, Wee-Liat Ong, Liemao Cao, Weiwei Zhao, Shengyuan A. Yang and Yee Sin Ang

Materials Today Physics, 2023, 31, 101001
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High piezoelectricity Janus GaXI (X = S, Se, or Te): First-principles calculations

Zujun Li, Jiasheng Luo, Haojun Ling, Jiawei Chen, Minru Wen, Huafeng Dong and Fugen Wu

Solid State Communications, 2024, 391, 115640
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Valley-Dependent Electronic Properties of Metal Monochalcogenides GaX and Janus Ga2XY (X, Y = S, Se, and Te)

Junghwan Kim, Yunjae Kim, Dongchul Sung and Suklyun Hong

Nanomaterials, 2024, 14, 1295
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First-Principles Study of 2d Ring-Te and its Electrical Contact with Topological Dirac Semimetal

Jaspreet Singh and Ashok Kumar

SSRN Journal, 2022
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Photocatalytic and thermoelectric performance of asymmetrical two-dimensional Janus aluminum chalcogenides

Zakaryae Haman, Moussa Kibbou, Nabil Khossossi, Soukaina Bahti, Poulumi Dey, Ismail Essaoudi, Rajeev Ahuja and Abdelmajid Ainane

J. Phys. Energy, 2023, 5, 035008
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Piezoelectricity of lead-free hybrid perovskite monolayer (ATHP)2XY4 (X = Ge, Sn; Y = Cl, Br, I): Cross-scale calculation and simulation

Jian Qiu, Dongling Li and Quan Wen

AIP Advances, 2024, 14
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Z-scheme SnC/HfS2 van der Waals heterojunction increases photocatalytic overall water splitting

Zhuo-Ni Dai, Yong Cao, Wen Jin Yin, Wei Sheng and Ying Xu

J. Phys. D: Appl. Phys., 2022, 55, 315503
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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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Influence of contact interface on electric transport in in-plane graphene/MoSSe heterojunction

Wen Chen, Jinghua Pan, Sicheng Jing, Wei Li, Baoan Bian, Bin Liao and Guoliang Wang

Chemical Physics, 2022, 562, 111633
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Negative piezoelectricity and enhanced electrical conductivity at the interfaces of two-dimensional dialkali oxide and chalcogenide monolayers

Anu Arora, Ashima Rawat and Abir De Sarkar

Phys. Rev. B, 2023, 107
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Stable Janus monolayer MoSHx (0.5 ≤ x ≤ 2)

Zhijing Huang, Jose Manuel Perez Aguilar, Shuming Zeng, Yusong Tu and Zonglin Gu

Applied Physics Letters, 2023, 123
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First-principles study of electronic, mechanical and piezoelectric properties of Janus MoSH

Yu-Pu He, Shao-Yi Wu, Jia-Xing Guo, Qi-Hang Qiu and Tian-Hao Guo

Philosophical Magazine, 2023, 103, 1198
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Correlation between strain tunable piezoelectricity and Rashba effect in flexible Janus Ga2Ge2XY (X, Y = S, Se, and Te) monolayers with high carrier mobility

Arneet Kaur, Shivam Sharma, Pradip Nandi and Abir De Sarkar

Physica E: Low-dimensional Systems and Nanostructures, 2023, 154, 115791
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Tunable band alignment engineering in two-dimensional Janus SnSSe/phosphorene van der Waals heterostructures

Ying Wang, Mengjie He, Chenhai Shen, Jianye Wang and Congxin Xia

Results in Physics, 2023, 49, 106538
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Outstandingly high thermal conductivity, elastic modulus, carrier mobility and piezoelectricity in two-dimensional semiconducting CrC2N4: a first-principles study

Bohayra Mortazavi, Fazel Shojaei, Brahmanandam Javvaji, Timon Rabczuk and Xiaoying Zhuang

Materials Today Energy, 2021, 22, 100839
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A novel monolayer 2D isomer Ga4O4Cl2X2 and Ga2O2ClX (X=Cl, F) predicted using first-principles: Potential for high efficiency UV detection

Youyou Guo, Xinguo Ma, Zhijie Deng, Zhengwang Cheng, Feng Zhang and Nan Ma

Surfaces and Interfaces, 2025, 62, 106273
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Piezoelectricity in two-dimensional aluminum, boron and Janus aluminum-boron monochalcogenide monolayers

Saeed Choopani and Mustafa Menderes Alyörük

J. Phys. D: Appl. Phys., 2022, 55, 155301
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Band modulation and optoelectronic properties of 2D Janus Ge2SeTe/Sn2SSe van der Waals heterostructures

Ying Wang, Chenhai Shen, Mengjie He, Xueying Liu, Lin Li and Congxin Xia

Journal of Luminescence, 2023, 257, 119682
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Construction of CdS/SnSSe heterostructures for direct Z-scheme photocatalysis: a first-principles computational study

Guangzhao Wang, Chunping Xu, Wenyi Tang, San-Dong Guo, Junping Duan, Die Hu, Chenjiang Yu, Ying Chen, Biao Wang, Wanli Zhang and Hongkuan Yuan

Phys. Scr., 2024, 99, 105937
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Theoretical investigations of Janus WSeTe monolayer and related van der Waals heterostructures with promising thermoelectric performance

Cong Wang, Yue-Xing Chen, Guoying Gao, Ke Xu and Hezhu Shao

Applied Surface Science, 2022, 593, 153402
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Active Asymmetric Electron-Transfer Effect on the Enhanced Piezoelectricity in MoTO (T = S, Se, or Te) Monolayers and Bilayers

Yun-Qin Li, Xin-Yu Wang, Shi-Yu Zhu, Dai-Song Tang, Qi-Wen He and Xiao-Chun Wang

J. Phys. Chem. Lett., 2022, 13, 9654
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A class of two-dimensional WSeTe monolayers under pressures with novel electronic and optical properties

Idrees OREİBİ and Jassim M. AL-ISSAWE

Turkish Comp Theo Chem (TC&TC), 2023, 7, 12
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Tunable topology and berry curvature dipole in transition metal dichalcogenide Janus monolayers

Nesta Benno Joseph, Saswata Roy and Awadhesh Narayan

Mater. Res. Express, 2021, 8, 124001
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ScSeI Monolayer for Photocatalytic Water Splitting

Jingfu Yang, Rundong Wan, Zhengfu Zhang, Guocai Tian, Shaohua Ju, Huilong Luo, Biaolin Peng and Yan Qiu

ACS Appl. Mater. Interfaces, 2024, 16, 49454
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An emerging bidirectional auxetic post-phosphorene ε-SnO monolayer: A promising Janus semiconductor with photocatalytic activity for solar-driven water splitting reaction

Kejun Lin, Xian Wang, Qiang Zhang, Chunyao Fang and Jianyang Zhou

International Journal of Hydrogen Energy, 2022, 47, 24761
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Novel Janus monolayer 1T'-MoSF features robust stability and superior mechanical flexibility

Zhijing Huang, Longyuzhi Xu, Li Yang, Shuming Zeng, Yusong Tu and Zonglin Gu

Applied Surface Science, 2024, 657, 159772
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Improved Thermoelectric–Photovoltaic Performance of Ag2Se Originating from a Halogenation-Induced Wider Band Gap and Low Crystal Symmetry

Yee Hui Robin Chang, Junke Jiang, Keat Hoe Yeoh, Heng Yen Khong, Mohd Muzamir Mahat, Soo See Chai, Ismail Saad and Moi Hua Tuh

ACS Appl. Energy Mater., 2022, 5, 6019
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Interfacial Control at Janus WSSe/Triazine g-C3N4 Heterostructures in Developing Type-II and Z-Scheme Photocatalysts

Kourosh Rahimi and Alireza Z. Moshfegh

J. Phys. Chem. C, 2023, 127, 16792
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