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Updated: Jan 4, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Band alignment and charge transfer in CsPbBr3-CdSe nanoplatelet hybrids coupled by molecular linkers
Swayandipta Dey1, Hagai Cohen2, Iddo Pinkas2
1Department of Physics of Complex Systems, Weizmann Institute of Science, Rehovot 7610001, Israel.
Abstract:
Formation of a p-n junction-like with a large built-in field is demonstrated at the nanoscale, using two types of semiconducting nanoparticles, CsPbBr3 nanocrystals and CdSe nanoplatelets, capped with molecular linkers. By exploiting chemical recognition of the capping molecules, the two types of nanoparticles are brought into mutual contact, thus initiating spontaneous charge transfer and the formation of a strong junction field. Depending on the choice of capping molecules, the magnitude of the latter field is shown to vary in a broad range, corresponding to an interface potential step as large as ∼1 eV. The band diagram of the system as well as the emergence of photoinduced charge transfer processes across the interface is studied here by means of optical and photoelectron based spectroscopies. Our results propose an interesting template for generating and harnessing internal built-in fields in heterogeneous nanocrystal solids.
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