<p>Nanoscale electrochemical CO<sub>2</sub> reduction (ECO<sub>2</sub>R) catalysts have shown great promise in CO<sub>2</sub> recycling and climate change mitigation. However, the lack of clear structure–performance relationships, especially between the phase and facet structures of catalysts and their corresponding catalytic performance, has hindered improvements in catalyst design. Here we summarize recent advances in the phase and facet engineering of nanoscale catalysts for ECO<sub>2</sub>R, along with strategies for investigating the underlying structure–performance relationships. We also highlight artificial intelligence (AI)-driven approaches that identify the catalytically active phase and facet. Finally, we discuss the emerging trends and challenges for accelerating ECO<sub>2</sub>R catalyst discovery, including catalyst design, characterization and AI-driven engineering.</p><p></p>

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Phase and facet engineering for nanoscale catalyst discovery in electrochemical CO2 reduction

  • Liangyiqun Xie,
  • Yi Liu,
  • Simin Li,
  • Bo Shen,
  • Wenlei Zhu

摘要

Nanoscale electrochemical CO2 reduction (ECO2R) catalysts have shown great promise in CO2 recycling and climate change mitigation. However, the lack of clear structure–performance relationships, especially between the phase and facet structures of catalysts and their corresponding catalytic performance, has hindered improvements in catalyst design. Here we summarize recent advances in the phase and facet engineering of nanoscale catalysts for ECO2R, along with strategies for investigating the underlying structure–performance relationships. We also highlight artificial intelligence (AI)-driven approaches that identify the catalytically active phase and facet. Finally, we discuss the emerging trends and challenges for accelerating ECO2R catalyst discovery, including catalyst design, characterization and AI-driven engineering.