Heavy-metal-free core/shell nanocrystals

This page gathers publications on heavy-metal-free core/shell nanocrystals, especially ZnCuInS/ZnS and ZnSe/ZnS systems, with emphasis on confinement type, stoichiometry, surface termination, and strain effects.

The effects of surface termination, stoichiometry, and strain on the optical properties of bulk-like ZnSe/ZnS core–shell nanocrystals

Sci. Rep. 16, 10003 (2026)

This work extends atomistic nanostructure modeling toward heavy-metal-free or industrially relevant core/shell nanocrystal systems. It emphasizes how composition, surface termination, and strain shape their optical response.

Keywords: ZnSe/ZnS nanocrystals

Main result: subtle changes in stoichiometry, interface structure, and strain can strongly modify the spectra of core/shell nanocrystals. Realistic atomistic treatment is therefore essential for predictive design.

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Insights from core/shell ZnCuInS/ZnS nanocrystals, type-II confinement, and implications for the design of safer industrial nanocrystals

Sci. Rep. 15, 30787 (2025)

This work extends atomistic nanostructure modeling toward heavy-metal-free or industrially relevant core/shell nanocrystal systems. It emphasizes how composition, surface termination, and strain shape their optical response.

Keywords: ZnCuInS/ZnS nanocrystals

Main result: subtle changes in stoichiometry, interface structure, and strain can strongly modify the spectra of core/shell nanocrystals. Realistic atomistic treatment is therefore essential for predictive design.

PDF · DOI