Intrinsic type-II van der Waals heterostructures based on graphdiyne and XSSe (X = Mo, W) : a first-principles study
Typical transition-metal dichalcogenides (TMDs) and graphdiyne (GDY) often form type-I heterojunctions, which will limit their applications in optoelectronic devices. Here, type-II heterojunctions based on GDY and TMDs are constructed by introducing Janus structures. An intrinsic type-II heterojunction is presented when the GDY is in contact with a Se-terminated layer, but a type-I heterojunction would appear when it is in contact with the S-terminated surface. Such a difference in band alignment can be attributed to the interaction between the dipole moment formed by the Janus structure and the graphdiyne layer. Furthermore, for heterojunctions in contact with the S-terminated layer, they can be converted into type-II heterojunctions by a small external electric field (for WSSe, only 0.05 V A-1 is required). This approach can suggest a convenient design strategy for the application of graphdiyne in a wider range of applications.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:24 |
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| Enthalten in: |
Physical chemistry chemical physics : PCCP - 24(2022), 35 vom: 14. Sept., Seite 21331-21336 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Peng, Junhao [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Revised 14.09.2022 published: Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1039/d2cp02801h |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM345607503 |
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| 100 | 1 | |a Peng, Junhao |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Intrinsic type-II van der Waals heterostructures based on graphdiyne and XSSe (X = Mo, W) |b a first-principles study |
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| 500 | |a Date Revised 14.09.2022 | ||
| 500 | |a published: Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a Typical transition-metal dichalcogenides (TMDs) and graphdiyne (GDY) often form type-I heterojunctions, which will limit their applications in optoelectronic devices. Here, type-II heterojunctions based on GDY and TMDs are constructed by introducing Janus structures. An intrinsic type-II heterojunction is presented when the GDY is in contact with a Se-terminated layer, but a type-I heterojunction would appear when it is in contact with the S-terminated surface. Such a difference in band alignment can be attributed to the interaction between the dipole moment formed by the Janus structure and the graphdiyne layer. Furthermore, for heterojunctions in contact with the S-terminated layer, they can be converted into type-II heterojunctions by a small external electric field (for WSSe, only 0.05 V A-1 is required). This approach can suggest a convenient design strategy for the application of graphdiyne in a wider range of applications | ||
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| 700 | 1 | |a Dong, Huafeng |e verfasserin |4 aut | |
| 700 | 1 | |a Wu, Fugen |e verfasserin |4 aut | |
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