Residential College | false |
Status | 已發表Published |
Band alignment engineering of 2D/3D halide perovskite lateral heterostructures | |
Feng, Mengjia1; Kong, Lingkun1; Chen, Jinlian1; Ma, Huifang1; Zha, Chenyang2; Zhang, Linghai1 | |
2024-07 | |
Source Publication | Journal of Chemical Physics |
ISSN | 0021-9606 |
Volume | 161Issue:2Pages:024703 |
Abstract | Two-dimensional (2D)/three-dimensional (3D) halide perovskite heterostructures have been extensively studied for their ability to combine the outstanding long-term stability of 2D perovskites with the superb optoelectronic properties of 3D perovskites. While current studies mostly focus on vertically stacked 2D/3D perovskite heterostructures, a theoretical understanding regarding the optoelectronic properties of 2D/3D perovskite lateral heterostructures is still lacking. Herein, we construct a series of 2D/3D perovskite lateral heterostructures to study their optoelectronic properties and interfacial charge transfer using density functional theory (DFT) calculations. We find that the band alignments of 2D/3D heterostructures can be regulated by varying the quantum-well thickness of 2D perovskites. Moreover, decreasing the 2D component ratio in 2D/3D heterostructures can be favorable to form type-I band alignment, whereas a large component ratio of 2D perovskites tends to form type-II band alignment. We can improve the amount of charge transfer at the 2D/3D perovskite interfaces and the light absorption of 2D perovskites by increasing quantum-well thickness. These present findings can provide a clear designing principle for achieving 3D/2D perovskite lateral heterostructures with tunable optoelectronic properties. |
Keyword | Density Functional Theory Electronic Band Structure Heterostructures Quantum Wells Optoelectronic Properties Atomic Structure Optical Absorption Perovskites Charge Transfer |
DOI | 10.1063/5.0214887 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Chemistry ; Physics |
WOS Subject | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
WOS ID | WOS:001268792100010 |
Publisher | AIP Publishing, 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 |
Scopus ID | 2-s2.0-85198593256 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Ma, Huifang; Zhang, Linghai |
Affiliation | 1.School of Flexible Electronics (Future Technologies), Institute of Advanced Materials (IAM), Nanjing Tech University, Nanjing, 211816, China 2.Institute of Applied Physics and Materials Engineering, Zhuhai UM Science & Technology Research Institute, University of Macau, Taipa, 999078, Macao |
Recommended Citation GB/T 7714 | Feng, Mengjia,Kong, Lingkun,Chen, Jinlian,et al. Band alignment engineering of 2D/3D halide perovskite lateral heterostructures[J]. Journal of Chemical Physics, 2024, 161(2), 024703. |
APA | Feng, Mengjia., Kong, Lingkun., Chen, Jinlian., Ma, Huifang., Zha, Chenyang., & Zhang, Linghai (2024). Band alignment engineering of 2D/3D halide perovskite lateral heterostructures. Journal of Chemical Physics, 161(2), 024703. |
MLA | Feng, Mengjia,et al."Band alignment engineering of 2D/3D halide perovskite lateral heterostructures".Journal of Chemical Physics 161.2(2024):024703. |
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