Structures and Electronic Properties of Different ZnIn2S4/CuInS2 Interface: A First-Principles Study Article Swipe
Yao Wang
,
Xiaonan Wei
,
Tian‐Yu Tang
,
Qingyun Dai
,
Zhi-Qiao Chen
,
Yongjun Tang
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.31875/2410-2199.2025.12.04
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.31875/2410-2199.2025.12.04
This paper aims to explore the electronic and photoelectric properties of two-dimensional type I (straddle) heterojunctions by theoretical calculation, and to provide theoretical support for the design of novel optoelectronic devices. Several ZnIn2S4/CuInS2 two-dimensional type I heterojunctions with different terminations have been systematically investigated by density functional theory (DFT) combined with tight binding approximation. The results show that only two of these structures are stable. In these two stable structures, different chemical bonds and electron transfer directions are formed when different atoms are exposed at the interface. The calculation results of band structures show that both of these structures are two-dimensional type I heterojunctions. The calculation results of effective mass show that they have efficient carrier separation and transport characteristics. These properties indicate that these two heterostructures can be used in high-performance light-emitting devices and photoelectric sensors. This study provides a theoretical basis for the optimal design of new two-dimensional optoelectronic devices.
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- https://doi.org/10.31875/2410-2199.2025.12.04
- OA Status
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- OpenAlex ID
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All OpenAlex metadata
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https://openalex.org/W4410790916Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.31875/2410-2199.2025.12.04Digital Object Identifier
- Title
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Structures and Electronic Properties of Different ZnIn2S4/CuInS2 Interface: A First-Principles StudyWork title
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articleOpenAlex work type
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enPrimary language
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2025Year of publication
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2025-05-27Full publication date if available
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Yao Wang, Xiaonan Wei, Tian‐Yu Tang, Qingyun Dai, Zhi-Qiao Chen, Yongjun TangList of authors in order
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https://doi.org/10.31875/2410-2199.2025.12.04Publisher landing page
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YesWhether a free full text is available
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diamondOpen access status per OpenAlex
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https://doi.org/10.31875/2410-2199.2025.12.04Direct OA link when available
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Interface (matter), Materials science, Composite material, Capillary action, Capillary numberTop concepts (fields/topics) attached by OpenAlex
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0Total citation count in OpenAlex
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10Other works algorithmically related by OpenAlex
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