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Elucidation of temperature-programmed desorption of high-coverage hydrogen on Pt(211), Pt(221), Pt(533) and Pt(553) based on density functional theory calculations

Kolb, Manuel; Garden, Anna; Badan, Cansin; Garrido Torres, Jose Antonio; Skulason, Egill; Juurlink, Ludo; Jónsson, Hannes; Koper, Marc (Royal Society of Chemistry (RSC), 2019-07-16)

In this work we compute high-coverage hydrogen adsorption energies and geometries on the stepped platinum surfaces Pt(211) and Pt(533) which contain a (100)-step type and the Pt(221) and Pt(553) surface with a (111) step edge. We discuss these results ...

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