Advanced Surface Engineering and Passivation Strategies of Quantum Dots for Breaking Efficiency Barrier of Clean Energy Technologies: A Comprehensive Review

Abstract Colloidal quantum dots (QDs) have garnered significant attention for their unique potential in clean energy technologies, owing to their tunable optoelectronic properties. However, the presence of surface traps/defects is a major limitation, adversely affecting charge dynamics, optical properties, and overall device performance. This review presents a comprehensive understanding of the origin and intrinsic nature of these surface defects, focusing on how they influence the performance of QDs‐based devices. Recent advances in surface engineering strategies, including solid‐phase and solution‐phase ligand exchange strategies, are delved into, as they play a crucial role in mitigating the impact of surface defects and allow tuning of QDs structural and optoelectronic properties. Furthermore, the review addresses the role of purification procedures and sensitization techniques in enhancing the QDs properties. The recent progress in the development of surface‐engineered QDs‐based clean energy technologies, including photovoltaic (PV), luminescent solar concentrators (LSC) for electricity, and photoelectrochemical (PEC) for green hydrogen production, where improvements in both efficiency and stability of these technologies are thoroughly discussed. The practical challenges and hurdles in scaling up these approaches are also critically examined and future directions are explored to inspire further advances in the rational design of QDs for solar energy conversion and other optoelectronic technologies.