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Unraveling Photocatalytic CO2 Reduction Mechanisms via In Situ/Operando Characterization: From Dynamic Active Sites
Liye Tang1, Wenhui Shi1, Hongying Ruan1
1College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, China.
Environmental Research
|August 11, 2026
Summary
In situ techniques are crucial for understanding solar-driven CO2 reduction mechanisms. This review highlights how these methods track catalyst dynamics and reaction pathways, enabling better catalyst design for carbon neutrality.
Area of Science:
- Materials Science
- Chemical Engineering
- Environmental Science
Background:
- Solar-driven photocatalytic CO2 reduction offers a sustainable pathway for fuel production and carbon neutrality.
- Key challenges include limited visible-light absorption, low efficiency, and poor selectivity, often stemming from unclear reaction mechanisms.
- Current static characterization methods fail to capture dynamic processes, hindering catalyst design.
Purpose of the Study:
- To systematically review in situ/operando techniques for studying photocatalytic CO2 reduction.
- To clarify the principles, limitations, and applications of these advanced characterization methods.
- To highlight how dynamic information aids in understanding catalyst behavior and improving performance.
Main Methods:
- Summarizing recent advancements in in situ/operando characterization techniques.
- Analyzing techniques for tracking dynamic catalyst structural evolution under reaction conditions.
- Reviewing methods for elucidating photogenerated carrier dynamics and interfacial charge transfer.
- Examining approaches for identifying reaction intermediates and their transformation pathways.
Main Results:
- In situ techniques enable real-time monitoring of catalyst structural changes (e.g., phase, defects, valence states).
- These methods quantitatively reveal photogenerated carrier separation, migration, and recombination dynamics.
- Direct experimental evidence for intermediate adsorption and reaction pathways (*COOH, *CO, *CHO) is provided.
Conclusions:
- In situ/operando characterization is critical for deciphering complex reaction mechanisms in photocatalytic CO2 reduction.
- Understanding dynamic processes at the atomic and molecular levels is key to rational catalyst design.
- Future research should focus on multi-technique combinations and integration with theoretical calculations to overcome current limitations.
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