Yu-Miao Tian

Atomistic Origin of Non-equilibrium Surface Restructuring on Copper under Pulsed Potentials.

Pulsed electrochemical conditions are known to modify copper (Cu) surface structures and alter catalytic behavior. However, the atomistic pathway underlying such dynamic evolution remains unclear. Here, we develop a parallel-evolution grand canonical Monte Carlo/molecular dynamics (PE-GCMC/MD) framework combined with a...