Hydrogen adsorption can provide important insights into the chemical and catalytic properties of a surface. In order to better understand hydrogen adsorption on Pt(111), the influence of monolayers of Ag at or near the Pt(111) surface on hydrogen adsorption were investigated by considering various surface coverages and surface and subsurface sites. Using density functional theory calculations we determined the thermodynamics of the step-wise addition of hydrogen for select Ag/Pt(111) systems. Systems were found to behave primarily like the bulk of the top layer, but small deviations from the behavior on the pure surfaces was observed due to the ligand effect and lattice strain. Of particular interest is that adsorbed hydrogen proves a thermodynamics driving force for the segregation of a layer of Pt to the surface. In addition to exploring a new field in chemistry, a new continent was explored as well. Adventures like visiting Greece during the peak of their economic crisis and traveling to Rome in the heat of August are to be shared and discussed.

Theoretical study of hydrogen adsorption on Ag/Pt(111) in Ulm, Germany

251st National Meeting (2016)

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