Excitonic solar cells based on van der Waals heterojunctions of Janus III–VI chalcogenide monolayers

Pan, Jinghua; Wang, Yu; Wang, Danni; Ma, Zelong; Jing, Sicheng; Chen, Wen; Bian, Baoan; Liao, Bin

doi:10.1088/1361-6528/acd788

Nanotechnology

2023

DOI: 10.1088/1361-6528/acd788

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Excitonic solar cells based on van der Waals heterojunctions of Janus III–VI chalcogenide monolayers

Jinghua Pan,

Yu Wang,

Danni Wang

et al.

Abstract: We construct the two-dimensional (2D) excitonic solar cells based on type II vdW heterojunctions of Janus III-VI chalcogenide monolayers and investigate the performance of the device using the first principle. The calculated solar energy absorbance of In2SSe/GaInSe2 and In2SeTe/GaInSe2 heterojunctions is the order of 105 cm-1. The predicted photoelectric conversion efficiency of the In2SeTe/GaInSe2 heterojunction can reach up to 24.5%, which compares favorably with other previously studied 2D heterojunctions. … Show more

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Cited by 5 publications

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Janus 2D Transition Metal Dichalcogenides: Research Progress, Optical Mechanism and Future Prospects for Optoelectronic Devices

Ahmad,

Wang,

Kazmi

et al. 2024

Laser & Photonics Reviews

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Exploring the extraordinary optoelectronic properties of two‐dimensional (2D) materials to construct advanced optoelectronic devices is a major goal for academic researchers and industrialists. Emerging 2D Janus materials are the innovative class of 2D materials in which two sides are either asymmetrical functionalized or exposed to different environments. Distinctive features of Janus 2D materials such as tunable bandgaps, electronic structures, the presence of Rashba effects, excitonic effects, piezoelectric effects etc. make its magnificent candidates for optoelectronic devices. The van der Waals (vdWs) heterostructure with novel properties assembled by Janus 2D materials and low dimensional materials provides new opportunities and promising applications. This review aims to offer the recent advances in the Janus 2D materials and inside mechanism in 2D Janus vdWs heterostructure from an optoelectronics point of view. Here, the latest progress in the Janus 2D materials including their vdWs heterostructures from the perspective of theoretical prediction, and synthesis techniques is presented. The investigation of their physical optoelectronics properties and optoelectronic device applications is summarized. Finally, the future directions, challenges, and opportunities regarding the research process of Janus 2D materials and their vdWs heterostructure are discussed for designing promising optoelectronic devices.

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Janus 2D Transition Metal Dichalcogenides: Research Progress, Optical Mechanism and Future Prospects for Optoelectronic Devices

Ahmad,

Wang,

Kazmi

et al. 2024

Laser & Photonics Reviews

View full text Add to dashboard Cite

show abstract

Interpretable machine learning for stability and electronic structure prediction of Janus III–VI van der Waals heterostructures

Shi,

Zhang,

Wen

et al. 2024

Materials Genome Engineering Advances

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Machine learning (ML) techniques have made enormous progress in the field of materials science. However, many conventional ML algorithms operate as “black‐boxes”, lacking transparency in revealing explicit relationships between material features and target properties. To address this, the development of interpretable ML models is essential to drive further advancements in AI‐driven materials discovery. In this study, we present an interpretable framework that combines traditional machine learning with symbolic regression, using Janus III–VI vdW heterostructures as a case study. This approach enables fast and accurate predictions of stability and electronic structure. Our results demonstrate that the prediction accuracy using the classification model for stability, based on formation energy, reaches 0.960. On the other hand, the R2, MAE, and RMSE value using the regression model for electronic structure prediction, based on band gap, achieves 0.927, 0.113, and 0.141 on the testing set, respectively. Additionally, we identify a universal interpretable descriptor comprising five simple parameters that reveals the underlying physical relationships between the candidate heterostructures and their band gaps. This descriptor not only delivers high accuracy in band gap prediction but also provides explicit physical insight into the material properties.

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Theoretical study of the photocatalytic activity of hBNC/MoSX (X = Se, Te) heterojunctions

He,

Liu,

Zhang

et al. 2023

Materials Today Communications

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Excitonic solar cells based on van der Waals heterojunctions of Janus III–VI chalcogenide monolayers

Cited by 5 publications

References 41 publications

Janus 2D Transition Metal Dichalcogenides: Research Progress, Optical Mechanism and Future Prospects for Optoelectronic Devices

Janus 2D Transition Metal Dichalcogenides: Research Progress, Optical Mechanism and Future Prospects for Optoelectronic Devices

Interpretable machine learning for stability and electronic structure prediction of Janus III–VI van der Waals heterostructures

Theoretical study of the photocatalytic activity of hBNC/MoSX (X = Se, Te) heterojunctions

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