TY - JOUR
T1 - Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures
AU - Fantauzzi, Donato
AU - Krick Calderón, Sandra
AU - Mueller, Jonathan E.
AU - Grabau, Mathias
AU - Papp, Christian
AU - Steinrück, Hans Peter
AU - Senftle, Thomas P.
AU - van Duin, Adri C.T.
AU - Jacob, Timo
N1 - Publisher Copyright:
© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2017/3/1
Y1 - 2017/3/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85013339598&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85013339598&partnerID=8YFLogxK
U2 - 10.1002/anie.201609317
DO - 10.1002/anie.201609317
M3 - Article
C2 - 28120368
AN - SCOPUS:85013339598
SN - 1433-7851
VL - 56
SP - 2594
EP - 2598
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 10
ER -