Abstract:Platinum
nanowires (NWs) have been reported to be catalytically
active toward the oxygen reduction reaction (ORR). The edge modification
of Pt NWs with metals M (M = Au,
Ag, or Pd) may have a positive impact on the overall ORR activity
by facilitating diffusion of adsorbed oxygen, Oads, and
hydroxyl groups, OHads, between the {001} and {111} terraces.
In the present study, we have employed classical molecular dynamics
simulations to investigate the segregation behavior of Au, Ag, and
Pd decorating the edges of… Show more
Vacancies are prevalent point defects in crystals, but their thermal responses are elusive. Herein, we formulate a simple theoretical model to shed light on the vacancy evolution during heating. Vibrational...
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