Electronic Coupling Effects of 2D Material Heterostructures and Their Applications in Flexible Optoelectronic Devices
Keywords:
2D heterostructures, electronic coupling effects, flexible optoelectronic devices, charge transfer, interface engineeringAbstract
In the post-Moore era, flexible optoelectronic devices are rapidly advancing towards wearable and portable applications, placing higher demands on material optoelectronic performance and mechanical flexibility. Single 2D materials have inherent limitations, graphene lacks a bandgap, limiting photoelectric conversion efficiency; transition metal dichalcogenides (TMDs) like MoS₂ have low carrier mobility; and black phosphorus is prone to oxidation, affecting long-term stability. These challenges are difficult to address through single material modification. 2D material heterostructures, formed through interlayer composite structures, leverage electronic coupling effects to enhance performance synergistically, providing an effective solution to overcome these limitations. This paper reviews common construction methods for typical 2D heterostructures, such as graphene-based, TMDs-based, and black phosphorus-based structures, including van der Waals stacking, covalent bonding, and solution assembly. It focuses on the mechanisms of interlayer charge transfer, exciton transfer, and orbital hybridization, and discusses how layer number control, strain application, and interface modification influence these coupling effects. Additionally, this work surveys the application of these heterostructures in flexible photodetectors, flexible light-emitting diodes (LEDs), and flexible solar cells, comparing their photoelectric response speed, energy conversion efficiency, and bending stability. Finally, challenges such as interlayer delamination, environmental instability, and difficulties in large-scale fabrication are discussed, with future directions in interface engineering and multifunctional heterostructure integration proposed for enhancing practical applications.References
1. Z. Wang, and G. Shen, "Flexible optoelectronic sensors: status and prospects," Materials Chemistry Frontiers, vol. 7, no. 8, pp. 1496-1519, 2023. doi: 10.1039/d2qm01319c
2. A. K. Katiyar, A. T. Hoang, D. Xu, J. Hong, B. J. Kim, S. Ji, and J. H. Ahn, "2D materials in flexible electronics: recent advances and future prospectives," Chemical Reviews, vol. 124, no. 2, pp. 318-419, 2023.
3. D. Maity, D. De, and G. G. Khan, "Black Phosphorus Solution-Phase Preparation and Applications in Energy Conversion," In Layered Nanomaterials for Solution-Processed Optoelectronics, 2025, pp. 251-294. doi: 10.1201/9781003509509-10
4. M. Cai, J. Yang, X. Lu, and X. Lu, "Layer-by-layer self-assembly strategies of atomically thin two-dimensional nanomaterials: principles, methods, and functional applications," ACS Applied Nano Materials, vol. 7, no. 24, pp. 27940-27959, 2024. doi: 10.1021/acsanm.3c06286
5. H. B. Wang, F. Wang, J. Yang, and M. Fan, "Electric field-induced anisotropy in the electronic properties of blue phosphorus/WSe2 heterojunction," Materials Today Communications, vol. 37, p. 107343, 2023.
6. Z. Yi, X. Li, B. Xiao, Q. Jiang, Y. Luo, and J. Yang, "Dual-interface engineering induced by silane coupling agents with different functional groups constructing high-performance flexible perovskite solar cells," Chemical Engineering Journal, vol. 469, p. 143790, 2023. doi: 10.1016/j.cej.2023.143790
7. G. Dastgeer, M. W. Zulfiqar, S. Nisar, R. Zulfiqar, M. Imran, S. Panchanan, and Z. Wang, "Emerging role of 2D materials in photovoltaics: efficiency enhancement and future perspectives," Nano-Micro Letters, vol. 18, no. 1, p. 32, 2026. doi: 10.1007/s40820-025-01869-z
8. Z. Zhao, H. Fu, R. Tang, B. Zhang, Y. Chen, and J. Jiang, "Failure mechanisms in flexible electronics," International Journal of Smart and Nano Materials, vol. 14, no. 4, pp. 510-565, 2023. doi: 10.1080/19475411.2023.2261775
9. R. Dutta, A. Bala, A. Sen, M. R. Spinazze, H. Park, W. Choi, and S. Kim, "Optical enhancement of indirect bandgap 2D transition metal dichalcogenides for multifunctional optoelectronic sensors," Advanced Materials, vol. 35, no. 46, p. 2303272, 2023. doi: 10.1002/adma.202303272
10. A. Kumar, D. Solanki, K. Watanabe, T. Taniguchi, A. K. Sood, and A. Das, "Interlayer Phonon Coupling and Enhanced Electron-Phonon Interactions in Doubly Aligned hBN/Graphene/hBN Heterostructures," ACS nano, vol. 19, no. 17, pp. 16415-16423, 2025. doi: 10.1021/acsnano.4c17152
11. T. Ding, X. Jiang, J. Quan, R. Wang, M. Li, C. Lan, and M. Zhu, "Recent progress in two-dimensional van der Waals heterojunctions for flexible energy storage applications," Advanced Composites and Hybrid Materials, vol. 8, no. 4, p. 324, 2025. doi: 10.1007/s42114-025-01410-1
12. S. Shen, M. F. O. Hameed, C. Zhang, G. Zhu, F. Qin, M. Jiang, and J. Dai, "Tunable Teraherz absorber via strong dual-Tamm plasmon coupling in Graphene-MoS2 based photonic crystals," Physics Letters A, 2025. doi: 10.1016/j.physleta.2025.130793
13. D. Wen, R. Yuan, K. Cao, F. Yang, and R. Chen, "Advancements in atomic-scale interface engineering for flexible electronics: enhancing flexibility and durability," Nanotechnology, vol. 35, no. 41, p. 412501, 2024. doi: 10.1088/1361-6528/ad64db
14. M. Long, P. Wang, H. Fang, and W. Hu, "Progress, challenges, and opportunities for 2D material based photodetectors," Advanced Functional Materials, vol. 29, no. 19, p. 1803807, 2019. doi: 10.1002/adfm.201803807
15. F. Zhao, D. Wang, F. Zhang, B. Cui, Q. Xia, and M. Zhong, "Gate-controlled photoresponse improvement in b-AsP/WSe2 heterostructures with type-I band alignment," Applied Physics Letters, vol. 122, no. 15, 2023. doi: 10.1063/5.0144982

