Structural dynamics either electronic or geometric features prevails in both homogenous and heterogeneous community. Typical examples modelling by single-atom catalyst (SAC) have been given illustrating the main contribution of active site reconstruction to catalysis behavior. This review starts with a comparison, aiming to link the intrinsic similarity of dynamic characters between enzyme and single-atom catalyst during catalysis. We then summarize the structural evolutions of isolated metal centres under operating conditions driven by intermediate and electrolyte adsorption as well as applied potentials. Finally, some challenges and perspectives on the single-atom dynamics in electrocatalysis are presented for further diagnosis of active sites.

Structural evolution of single-atom catalyst in electrocatalysis

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