CO2 reduction reimagined: From light-driven to electrocatalytic pathways with computational insight towards enhanced product selectivity
2025
Naveed Akhtar | Habib Ullah | Amir Zada | Shohreh Azizi | Muhammad Ateeq | Javed Ali Khan | Muhammad Ishaq Ali Shah | Mohammad Naeem | Muhammad Shakeel Khan | Zakir Ullah | Hyun You Kim
Transforming carbon dioxide (CO2) into valuable fuels and chemicals through photocatalysis and electrocatalysis presents a sustainable approach to reducing carbon emissions and tackling global energy challenges. However, the major hurdles lie in the low activity and selectivity of these processes. This review critically analyzes the fundamental mechanisms and reaction pathways for CO2 reduction, with a focus on photocatalytic and electrocatalytic approaches. Key factors influencing product selectivities, including the band structure of photocatalysts, light-excitation properties, charge carrier separation, and surface interactions, are thoroughly examined. We also emphasize recent advancements such as bandgap engineering, doping, nanostructure tailoring, and the use of innovative catalysts to enhance selectivity and efficiency. Unlike previous reviews that focus on either photocatalysis or electrocatalysis in isolation, this review offers a unified perspective on both system, whether highlighting comparative trends, mechanistic insights, and future research directions. This integrated and comprehensive analysis fills a critical gap in the current literature and expected to guide the development of next-generation catalytic systems for efficient and selective CO2 conversion.
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