Lattice Strain Limit for Uniform Shell Deposition in Zincblende CdSe/CdS Quantum Dots.

The effects of lattice strain on the spectroscopy and photoluminescence quantum yields of zincblende CdSe/CdS core/shell quantum dots are examined. The quantum yields are measured as a function of core size and shell thickness. High quantum yields are achieved as long as the lattice strain energy density is below ~0.85 eV/nm(2), which is considerably greater than the limiting value of 0.59 eV/nm(2) for thermodynamic stability of a smooth, defect-free shell, as previously reported (J. Chem. Phys. 2014, 141, 194704). Thus, core/shell quantum dots having strain energy densities between 0.59 and 0.85 eV/nm(2) can have very high PL QYs but are metastable with respect to surface defect formation. Such metastable core/shell QDs can be produced by shell deposition at comparatively low temperatures (<140 °C). Annealing of these particles causes partial loss of core pressure and a red shift of the spectrum.