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Michele Melchionna1, Paolo Fornasiero1

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Single-atom catalysts (SACs) present challenges in understanding their behavior under reaction conditions. This work proposes "smart" single-atom catalysts (SSACs) that leverage dynamic phenomena for improved control and performance.

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Area of Science:

  • Heterogeneous Catalysis
  • Materials Science
  • Nanotechnology

Background:

  • Single-atom catalysts (SACs) are impactful in heterogeneous catalysis but their precise behavior under operative conditions remains poorly understood.
  • Uncertainty in SAC experiments stems from a lack of knowledge regarding single-atom evolution and the factors governing their fate during catalytic mechanisms.
  • Existing terminology, such as 'single-site catalysts,' highlights the difficulty in defining active species and achieving ordered supports.

Purpose of the Study:

  • To explore the underutilized potential of dynamic phenomena in single metal sites within SACs.
  • To propose a new generation of 'smart' single-atom catalysts (SSACs) that are stimulus-responsive and controllable.
  • To outline pathways for mitigating typical SAC drawbacks like selectivity and stability by exploiting atom dynamicity.

Main Methods:

  • Conceptual framework development for 'smart' single-atom catalysis (SSACs).
  • Discussion of dynamic phenomena at the single-atom level.
  • Exploration of potential strategies for controlling single-atom evolution under reaction conditions.

Main Results:

  • Identifies the dynamic evolution of single atoms as a key, yet overlooked, factor in SAC catalysis.
  • Proposes the concept of SSACs, which leverage this dynamicity for enhanced catalytic control.
  • Suggests that exploiting atom dynamics can lead to improved selectivity and stability in catalytic processes.

Conclusions:

  • The inherent dynamicity of single atoms in SACs offers significant opportunities for developing next-generation catalysts.
  • The proposed 'smart' single-atom catalysts (SSACs) could overcome current limitations in selectivity and stability.
  • While SSACs are not yet realized, the discussed concepts provide a roadmap for their future development.