Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructures
Zero-dimensional (0D)–one-dimensional (1D) mixed-dimensional van der Waals (MvdW) heterostructures have shown great potential in electronic/optoelectronic applications. However, addressing the interface barrier modulation and charge-transfer mechanisms remain challenging. Here, we develop an analyti...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2022-01-01
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| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/ac74d9 |
| _version_ | 1797748412467118080 |
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| author | Biao Cai Yipeng Zhao Degao Xu Gang Ouyang |
| author_facet | Biao Cai Yipeng Zhao Degao Xu Gang Ouyang |
| author_sort | Biao Cai |
| collection | DOAJ |
| description | Zero-dimensional (0D)–one-dimensional (1D) mixed-dimensional van der Waals (MvdW) heterostructures have shown great potential in electronic/optoelectronic applications. However, addressing the interface barrier modulation and charge-transfer mechanisms remain challenging. Here, we develop an analytic model to illustrate the open-circuit voltage and charge-transfer state energy in PbS _x Se _1− _x -quantum dots (QDs)/MoS _2 -nanotube (NT) 0D–1D MvdW heterostructures based on atomic-bond-relaxation approach, Marcus theory and modified-detailed balance principle. We find that the band alignment of PbS _x Se _1− _x -QDs/MoS _2 -NT heterostructures undergoes a transition from type II to type I, and the threshold of size is around 5.6 nm for x = 1, which makes the system suitable for various devices including photocatalytic device, light-emission device and solar cell under different sizes. Our results not only clarify the underlying mechanism of interfacial charge-transfer in the heterostructures, but also provide unique insight and new strategy for designing multifunctional and high-performance 0D–1D MvdW heterostructure devices. |
| first_indexed | 2024-03-12T16:04:23Z |
| format | Article |
| id | doaj.art-30236fe2e57248f69bd4ef8db06e81b4 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:04:23Z |
| publishDate | 2022-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-30236fe2e57248f69bd4ef8db06e81b42023-08-09T14:24:37ZengIOP PublishingNew Journal of Physics1367-26302022-01-0124606301210.1088/1367-2630/ac74d9Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructuresBiao Cai0Yipeng Zhao1Degao Xu2Gang Ouyang3https://orcid.org/0000-0003-2589-9641Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Key Laboratory for Matter Microstructure and Function of Hunan Province, Synergetic Innovation Center for Quantum Effects and Applications (SICQEA), Hunan Normal University , Changsha 410081, People’s Republic of ChinaCollege of Physics and Electronics Engineering, Hengyang Normal University , Hengyang 421008, People’s Republic of ChinaKey Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Key Laboratory for Matter Microstructure and Function of Hunan Province, Synergetic Innovation Center for Quantum Effects and Applications (SICQEA), Hunan Normal University , Changsha 410081, People’s Republic of ChinaKey Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Key Laboratory for Matter Microstructure and Function of Hunan Province, Synergetic Innovation Center for Quantum Effects and Applications (SICQEA), Hunan Normal University , Changsha 410081, People’s Republic of ChinaZero-dimensional (0D)–one-dimensional (1D) mixed-dimensional van der Waals (MvdW) heterostructures have shown great potential in electronic/optoelectronic applications. However, addressing the interface barrier modulation and charge-transfer mechanisms remain challenging. Here, we develop an analytic model to illustrate the open-circuit voltage and charge-transfer state energy in PbS _x Se _1− _x -quantum dots (QDs)/MoS _2 -nanotube (NT) 0D–1D MvdW heterostructures based on atomic-bond-relaxation approach, Marcus theory and modified-detailed balance principle. We find that the band alignment of PbS _x Se _1− _x -QDs/MoS _2 -NT heterostructures undergoes a transition from type II to type I, and the threshold of size is around 5.6 nm for x = 1, which makes the system suitable for various devices including photocatalytic device, light-emission device and solar cell under different sizes. Our results not only clarify the underlying mechanism of interfacial charge-transfer in the heterostructures, but also provide unique insight and new strategy for designing multifunctional and high-performance 0D–1D MvdW heterostructure devices.https://doi.org/10.1088/1367-2630/ac74d9mixed-dimensional van der Waals heterostructuresband alignmentelectron transfer ratepower conversion efficiency |
| spellingShingle | Biao Cai Yipeng Zhao Degao Xu Gang Ouyang Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructures New Journal of Physics mixed-dimensional van der Waals heterostructures band alignment electron transfer rate power conversion efficiency |
| title | Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructures |
| title_full | Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructures |
| title_fullStr | Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructures |
| title_full_unstemmed | Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructures |
| title_short | Optimized photoelectric conversion properties of PbS x Se1−x -QD/MoS2-NT 0D–1D mixed-dimensional van der Waals heterostructures |
| title_sort | optimized photoelectric conversion properties of pbs x se1 x qd mos2 nt 0d 1d mixed dimensional van der waals heterostructures |
| topic | mixed-dimensional van der Waals heterostructures band alignment electron transfer rate power conversion efficiency |
| url | https://doi.org/10.1088/1367-2630/ac74d9 |
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