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Ordered hydroxyls on Ca3Ru2O7(001)
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DOI：10.1038/s41467-017-00066-w.png)
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摘要
En 中文
As complex ternary perovskite-type oxides are increasingly used in solid oxide fuel cells, electrolysis and catalysis, it is desirable to obtain a better understanding of their surface chemical properties. Here we report a pronounced ordering of hydroxyls on the cleaved (001) surface of the Ruddlesden-Popper perovskite Ca3Ru2O7 upon water adsorption at 105 K and subsequent annealing to room temperature. Density functional theory calculations predict the dissociative adsorption of a single water molecule (E-ads = 1.64 eV), forming an (OH)(ads) group adsorbed in a Ca-Ca bridge site, with an H transferred to a neighboring surface oxygen atom, O-surf. Scanning tunneling microscopy images show a pronounced ordering of the hydroxyls with (2 x 1), c(2 x 6), (1 x 3), and (1 x 1) periodicity. The present work demonstrates the importance of octahedral rotation and tilt in perovskites, for influencing surface reactivity, which here induces the ordering of the observed OH overlayers.
Keyword:
TIO2 ANATASE 101
FUNDAMENTAL-ASPECTS
SOLID-SURFACES
WATER
OXYGEN
OXIDE
DESORPTION
RUO2(110)
CRYSTAL
LEADS
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IF:
15.7
论文数:
9.6W
被引数:
93.2W
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