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Imperfections in Crystal Structure: Stoichiometric Point Defects

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Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...

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Related Experiment Video

Updated: May 5, 2026

Synthesis of Cd-free InP/ZnS Quantum Dots Suitable for Biomedical Applications

Synthesis of Cd-free InP/ZnS Quantum Dots Suitable for Biomedical Applications

Published on: February 6, 2016

Defect-Cascades-Induced Photodegradation in InP/ZnSe/ZnS Quantum Dots.

Yeongrok Jin^1,2, Seongmun Kim¹, Yeo-Geon Yoon³

¹Department of Physics, Pusan National University, Busan, 46241, Republic of Korea.

Advanced Science (Weinheim, Baden-Wurttemberg, Germany)

|November 3, 2025

Summary

Surface sulfur vacancies in quantum dots initiate a cascade of defects under light, degrading performance. Passivating these sites enhances photostability and optoelectronic efficiency in quantum dots.

Keywords:

DFT calculations electron spin resonances quantum dots sulfur vacancies type‐II band alignments vacancy pairs

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Area of Science:

Materials Science
Quantum Dot Technology
Spectroscopy

Background:

Quantum dots (QDs) are crucial for optoelectronics but suffer from photostability issues.
Surface defects significantly impact QD performance and longevity.

Purpose of the Study:

To investigate the role of surface sulfur vacancies (s-V_S) in initiating light-induced degradation in InP/ZnSe/ZnS QDs.
To understand the mechanism of defect cascade formation and its effect on optoelectronic properties.
To evaluate the effectiveness of passivating s-V_S for improving QD stability.

Main Methods:

Integration of light-induced in situ electron spin resonance (ESR) spectroscopy.
Density functional theory (DFT) calculations to model defect formation and band alignment.
Photostability and external quantum efficiency (EQE) measurements under illumination.

Main Results:

Surface sulfur vacancies (s-V_S) identified as critical initiation centers for defect cascade.
Blue-light irradiation triggers propagation of vacancies (Zn, S, Se) leading to band alignment shift (Type-I to Type-II).
Targeted passivation of s-V_S effectively suppressed defect evolution and preserved high EQE.

Conclusions:

s-V_S are principal accelerators of light-induced degradation in QDs.
Controlling surface defects is essential for developing stable, high-performance QDs.
Passivation strategies targeting s-V_S offer a pathway to enhance QD photostability and optoelectronic efficiency.