Abstract
Fe equilibrium and kinetic segregations of surface and subsurface layers upon annealing 1ML (monolayer)-Fe/Pt(111) under vacuum/oxygen/hydrogen environment are simulated by introducing oxygen and hydrogen adsorption enthalpy into the modified Darken model. The simulation results show that (1) Fe subsurface dissolution and Pt surface segregation take place upon annealing Fe/Pt(111) in vacuum; (2) Fe surface segregation takes place upon annealing Pt/Fe/Pt(111) in oxygen environment; (3) Fe/Pt(111) and Pt/Fe/Pt(111) layered structures are formed respectively at low and elevated temperatures upon annealing FeO/Pt(111) in hydrogen environment. The experimental observations are well interpreted that the reversible modulation of Fe structures on Pt(111) surface upon annealing 1ML-Fe/Pt(111) could be reached by controlling the oxygen/hydrogen treatment and the annealing temperature.
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