Issue 48, 2023

Inserting an “atomic trap” for directional dopant migration in core/multi-shell quantum dots

Abstract

Diffusion of atoms or ions in solid crystalline lattice is crucial in many areas of solid-state technology. However, controlling ion diffusion and migration is challenging in nanoscale lattices. In this work, we intentionally insert a CdZnS alloyed interface layer, with small cationic size mismatch with Mn(II) dopant ions, as an “atomic trap” to facilitate directional (outward and inward) dopant migration inside core/multi-shell quantum dots (QDs) to reduce the strain from the larger cationic mismatch between dopants and host sites. Furthermore, it was found that the initial doping site/environment is critical for efficient dopant trapping and migration. Specifically, a larger Cd(II) substitutional site (92 pm) for the Mn(II) dopant (80 pm), with larger local lattice distortion, allows for efficient atomic trapping and dopant migration; while Mn(II) dopant ions can be very stable with no significant migration when occupying a smaller Zn(II) substitutional site (74 pm). Density functional theory calculations revealed a higher energy barrier for a Mn(II) dopant hopping from the smaller Zn substitutional tetrahedral (Td) site as compared to a larger Cd substitutional Td site. The controlled dopant migration by “atomic trapping” inside QDs provides a new way to fine tune the properties of doped nanomaterials.

Graphical abstract: Inserting an “atomic trap” for directional dopant migration in core/multi-shell quantum dots

Supplementary files

Article information

Article type
Edge Article
Submitted
09 8 2023
Accepted
11 11 2023
First published
20 11 2023
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2023,14, 14115-14123

Inserting an “atomic trap” for directional dopant migration in core/multi-shell quantum dots

C. Chu, E. Hofman, C. Gao, S. Li, H. Lin, W. MacSwain, J. M. Franck, R. W. Meulenberg, A. Chakraborty and W. Zheng, Chem. Sci., 2023, 14, 14115 DOI: 10.1039/D3SC04165D

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