Interface engineering in CeO₂ (111) facets decorated with CdSe quantum dots for photocatalytic hydrogen evolution

Area of Science:

• Materials Science
• Photocatalysis
• Surface Chemistry

Background:

• Heterostructure interfaces are crucial for photocatalytic hydrogen evolution reactions (HER).
• Semiconductor heterostructures offer tunable properties for enhanced catalytic activity.
• Understanding interfacial effects is key to designing efficient photocatalysts.

Purpose of the Study:

• To synthesize and characterize CdSe quantum dots (QDs)/CeO2(111) heterostructures.
• To evaluate the photocatalytic hydrogen evolution performance of these heterostructures.
• To elucidate the underlying mechanisms responsible for enhanced HER activity using experimental and computational methods.

Main Methods:

• Wet chemistry synthesis of CdSe QDs/CeO2(111) heterostructures.
• Photocatalytic hydrogen evolution reaction measurements.
• Density Functional Theory (DFT) calculations for mechanistic insights.

Main Results:

• CdSe QDs/CeO2(111)-0.075 exhibited a high photocatalytic H2 evolution rate of 283.32 µmol g⁻¹h⁻¹.
• Enhanced light absorption, reduced charge recombination, and improved carrier separation/transfer were observed.
• DFT calculations confirmed stronger water adsorption, lower dissociation barriers, and optimal hydrogen adsorption free energy.

Conclusions:

• The CdSe QDs/CeO2(111) heterostructure significantly enhances photocatalytic H2 evolution.
• Interfacial engineering in heterostructures is a viable strategy for improving photocatalytic efficiency.
• This approach holds promise for advancing HER and other catalytic applications.