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Compact Quantum Dots for Single-molecule Imaging

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Published on: October 9, 2012

A predictive model of shell morphology in CdSe/CdS core/shell quantum dots.

Ke Gong¹, David F Kelley¹

¹Chemistry and Chemical Biology, University of California, Merced, 5200 North Lake Road, Merced, California 95343, USA.

The Journal of Chemical Physics

|November 24, 2014

Summary

Lattice mismatch in core/shell nanoparticles influences shell morphology. A critical strain energy level dictates a transition from smooth to rough shells in Cadmium Selenide/Cadmium Sulfide nanoparticles.

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Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles

Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles

Published on: March 2, 2016

Area of Science:

Materials Science
Nanotechnology
Physical Chemistry

Background:

Lattice mismatch between core and shell materials in nanoparticles generates strain energy.
This strain energy significantly impacts the shell's morphology, leading to either uniform or non-uniform thickness.
Shell morphology is a balance between minimizing surface energy and lattice strain energy.

Purpose of the Study:

To quantitatively analyze the role of lattice strain energy in determining the shell morphology of Cadmium Selenide/Cadmium Sulfide (CdSe/CdS) core/shell nanoparticles.
To establish a model predicting shell morphology based on elastic continuum calculations.
To experimentally validate the model by correlating shell morphology with strain energy.

Main Methods:

Utilized inhomogeneity in hole tunneling rates through the shell to quantify shell thickness variations.
Employed elastic continuum calculations to model lattice strain energy dependence on core size and shell thickness.
Assumed thermodynamic equilibrium to determine the minimum total energy (strain + surface) for shell morphology.

Main Results:

Quantified lattice strain energy in CdSe/CdS nanoparticles and its effect on shell morphology.
Identified critical thresholds for total lattice strain energy (approx. 27 eV) and strain energy density (0.59 eV/nm²) triggering a transition from smooth to rough shells.
Observed deviations from the model when shells were deposited at low temperatures, indicating a lack of thermodynamic equilibrium.

Conclusions:

The study presents a quantitative model linking lattice strain energy to shell morphology in CdSe/CdS nanoparticles.
A clear transition from smooth to rough shells occurs above specific strain energy thresholds.
Thermodynamic equilibrium is crucial for the accurate prediction of shell morphology; deviations occur under non-equilibrium conditions.