Theoretical Chemistry

Electronic properties of transition-metal dichalcogenide/2D perovskite heterostructures


Van der Waals crystals have ushered in a new and thrilling era in heterostructure exploration by eliminating the lattice matching limitations typically associated with epitaxial semiconductors. They offer unparalleled flexibility in heterostructure design. The fusion of two-dimensional (2D) perovskites with other 2D materials, notably transition-metal dichalcogenides (TMDCs), has recently emerged as a captivating approach to crafting hybrid optoelectronic devices. The resulting heterostructures, along with the optimized selection of their individual building blocks, enable the fine-tuning of charge and exciton energy transfers within these materials.

The alignment of bands across layers, coupled with controlled spacing achieved through material selection, offers significant control over these systems. This, combined with pronounced excitonic effects, positions such heterostructures as highly appealing platforms for investigating charge and energy transfer dynamics. Specifically, we focus on understanding energy migration processes, wherein spatially separated energy donor and acceptor states undergo excitation, with implications for various applications.


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M. Karpińska, J. Jasiński, R. Kempt, J. D. Ziegler, H. Sansom, T. Taniguchi, K. Watanabe, H. J. Snaith, A. Surrente, M. Dyksik, D. K. Maude, Ł. Kłopotowski, A. Chernikov, A. Kuc, M. Baranowski, P. Plochocka, Interlayer excitons in MoSe2/2D perovskite hybrid heterostructures – the interplay between charge and energy transfer, Nanoscale14, 8085 (2022), DOI: