Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures

Donato Fantauzzi, Sandra Krick Calderón, Jonathan E. Mueller, Mathias Grabau, Christian Papp, Hans Peter Steinrück, Thomas P. Senftle, Adri C.T. van Duin, Timo Jacob

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44 Scopus citations


Detailed knowledge of the structure and degree of oxidation of platinum surfaces under operando conditions is essential for understanding catalytic performance. However, experimental investigations of platinum surface oxides have been hampered by technical limitations, preventing in situ investigations at relevant pressures. As a result, the time-dependent evolution of oxide formation has only received superficial treatment. In addition, the amorphous structures of many surface oxides have hindered realistic theoretical studies. Using near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) we show that a time scale of hours (t≥4 h) is required for the formation of platinum surface oxides. These experimental observations are consistent with ReaxFF grand canonical Monte Carlo (ReaxFF-GCMC) calculations, predicting the structures and coverages of stable, amorphous surface oxides at temperatures between 430–680 K and an O2partial pressure of 1 mbar.

Original languageEnglish (US)
Pages (from-to)2594-2598
Number of pages5
JournalAngewandte Chemie - International Edition
Issue number10
StatePublished - Mar 1 2017

All Science Journal Classification (ASJC) codes

  • Catalysis
  • General Chemistry


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