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Inserting an "atomic trap" for directional dopant migration in core/multi-shell quantum dots.
- Source :
-
Chemical science [Chem Sci] 2023 Nov 20; Vol. 14 (48), pp. 14115-14123. Date of Electronic Publication: 2023 Nov 20 (Print Publication: 2023). - Publication Year :
- 2023
-
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 (T <subscript>d</subscript> ) site as compared to a larger Cd substitutional T <subscript>d</subscript> site. The controlled dopant migration by "atomic trapping" inside QDs provides a new way to fine tune the properties of doped nanomaterials.<br />Competing Interests: There are no conflicts to declare.<br /> (This journal is © The Royal Society of Chemistry.)
Details
- Language :
- English
- ISSN :
- 2041-6520
- Volume :
- 14
- Issue :
- 48
- Database :
- MEDLINE
- Journal :
- Chemical science
- Publication Type :
- Academic Journal
- Accession number :
- 38098727
- Full Text :
- https://doi.org/10.1039/d3sc04165d