Interfacial Charge Transfer and Interface Engineering in CdSe Quantum Dot Photocatalysts: Design Descriptors, Benchmarking Frameworks, and Pathways Toward Durable Solar Fuel Conversion

ABSTRACT

Interfacial charge‐transfer processes play a decisive role in determining the performance of CdSe quantum‐dot (QD) photocatalysts for solar‐fuel applications. This review develops an interface‐centered framework that connects intrinsic CdSe QD properties, surface chemistry, ligand engineering, and heterointerface architectures to photocatalytic activity and stability. The effects of quantum confinement, excitonic behavior, surface states, and electronic disorder on charge separation and extraction are critically analyzed. Various interface‐construction strategies, including in situ growth, post‐synthetic assembly, and ligand‐mediated coupling, are evaluated in terms of junction continuity, charge‐transport efficiency, and durability. Case studies in hydrogen evolution, CO ₂ reduction, photoreforming, and photoelectrochemical systems demonstrate that performance is governed more strongly by interface topology, energetic continuity, defect management, and charge‐routing efficiency than by material composition alone. The review further identifies key trade‐offs between stabilization and charge extraction, passivation and accessibility, and architectural complexity and mechanistic transparency. By integrating interfacial energetics, transport descriptors, and benchmarking concepts, this work provides engineering‐oriented design guidelines for the rational development of durable and efficient CdSe QD photocatalysts for solar‐to‐chemical energy conversion.