- Book Chapter
- 10.1201/9781003512899-8
Advanced computational studies of quantum dots for optoelectronic, sensing, and computing applications
- Sep 09, 2025
- William E Benson + 4 more +4
In recent years, zinc oxide (ZnO) quantum dots (QDs) have gained much attention due to their quantum and piezoelectric properties, which make them viable candidates for optoelectronic applications and nano-sensing devices. The piezoelectric properties of ZnO QDs are intimately linked to their optoelectronic behavior in response to mechanical stress and applied external forces. First-principle calculations of the electronic properties of the QDs have been performed using density functional theory (DFT) to compute their electronic structure, density of states (DOS), charge density, phonon behavior, and the photoluminescence properties of the material. Moreover, the size-dependent quantum confinement effect can be seen through the discrete energy levels in the band structure, which results in defined peaks in the DOS and blue shift in the photoluminescence. The bandgap energy of ZnO QDs determines the conductivity of the material and is dependent on the size of the QDs. This property in turn allows for tunability of the electronic properties of the QDs as a function of their size and is thereby appropriate for optoelectronic, photonic, and sensing applications. The nano-scale sizes and quantum properties of ZnO QD qubits also make them suitable for applications in quantum computing and data storage.
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