From Materials to Devices: Multiscale Modeling of Colloidal Quantum Dot Optoelectronics
- 1Department of Electrical, Electronic and Computer Engineering, University of Ulsan, Ulsan 44610, Republic of Korea
- 2School of Electrical and Electronics Engineering, University of Ulsan, Ulsan 44610, Republic of Korea
Abstract
Colloidal quantum dots (CQDs) have emerged as a versatile platform for optoelectronics due to their solution processability, size-dependent tunable bandgaps and strong light-matter interaction. In this review, we systematically examine how theoretical models for CQD optoelectronic devices have been developed and applied. This review emphasizes the importance of integrating theoretical models across CQD materials and optoelectronic devices to enable accurate prediction of key optoelectronic performance. Recent advances in theoretical frameworks for CQD optoelectronics have enabled the prediction of material properties (electronic structure, defect formation, absorption and emission spectra) through atomic-scale simulations and device behaviors (charge separation, transport, recombination and multiplication) through device-scale simulations. These integrated approaches propose the design principles for developing the CQD architectures with optimized optoelectronic performances, enabling practical implementation in device fabrication. We conclude that the future incorporation of machine learning with theoretical CQD models ensures the exploration of previously inaccessible CQD materials and device architectures, accelerating the commercialization of CQD-based optoelectronic applications.
Related
- Immobilization of transition metal (Ni, Cu, and Co)-based colloidal nanoscale materials for the oxygen evolution reaction
- Recent advances in high surface area porous materials for electrochemical energy storage devices
- Scalable, Simple, and Versatile Encapsulation of 2D Materials and Devices.
- A Five-Decade Perspective on the Evolution of Gelatin and Collagen Technologies and Materials Used in Medical Devices.
- Advances in electrode materials and interfacial chemistry of lithium-ion-based energy storage devices
BibTeX
@article{uyen2026from,
title = {{From Materials to Devices: Multiscale Modeling of Colloidal Quantum Dot Optoelectronics}},
author = {Phung Phuong Uyen and Byeongsu Kim},
journal = {Nanomaterials},
year = {2026},
month = oct,
doi = {10.3390/nano16211338},
url = {https://www.mdpi.com/2079-4991/16/21/1338},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - From Materials to Devices: Multiscale Modeling of Colloidal Quantum Dot Optoelectronics
AU - Phung Phuong Uyen
AU - Byeongsu Kim
PY - 2026
DA - 2026/10/22
JO - Nanomaterials
DO - 10.3390/nano16211338
UR - https://www.mdpi.com/2079-4991/16/21/1338
AB - Colloidal quantum dots (CQDs) have emerged as a versatile platform for optoelectronics due to their solution processability, size-dependent tunable bandgaps and strong light-matter interaction. In this review, we systematically examine how theoretical models for CQD optoelectronic devices have been developed and applied. This review emphasizes the importance of integrating theoretical models across CQD materials and optoelectronic devices to enable accurate prediction of key optoelectronic performance. Recent advances in theoretical frameworks for CQD optoelectronics have enabled the prediction of material properties (electronic structure, defect formation, absorption and emission spectra) through atomic-scale simulations and device behaviors (charge separation, transport, recombination and multiplication) through device-scale simulations. These integrated approaches propose the design principles for developing the CQD architectures with optimized optoelectronic performances, enabling practical implementation in device fabrication. We conclude that the future incorporation of machine learning with theoretical CQD models ensures the exploration of previously inaccessible CQD materials and device architectures, accelerating the commercialization of CQD-based optoelectronic applications.
SN - 2079-4991
ER -