期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 60, 期 25, 页码 13835-13839出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202101771
关键词
cerium dioxide; density functional calculations; heterogeneous catalysis; multiple bonds; scanning tunnelling microscopy
资金
- European Research Council Advanced Grant ENERGYSURF (GT)
- European Cooperation in Science and Technology Action [CM1104]
- EPSRC [EP/L015277/1]
- Royal Society through a Wolfson Merit Award
- Alexander von Humboldt Stiftung
- MICINN-Spain [RTI2018-101604-B-I00]
- FIUBA
- ANPCyT-Argentina [PICT-1555]
- CONICET-Argentina [PIP-00020CO]
A Ce=O terminated ceria surface was observed in this study, revealing a key feature in the reconstruction of ceria islands and potentially shedding light on the unique catalytic properties of ceria-based systems.
Multiply bonded lanthanide oxo groups are rare in coordination compounds and have not previously been reported for a surface termination of a lanthanide oxide. Here we report the observation of a Ce=O terminated ceria surface in a CeO2(111)-(3 x3 )R30 degrees reconstruction of approximate to 3 nm thick ceria islands prepared on Pt(111). This is evidenced by scanning tunnelling microscopy (STM), low energy electron diffraction (LEED) and high-resolution electron energy loss spectroscopy (HREELS) measurements in conjunction with density functional theory (DFT) calculations. A Ce=O stretching frequency of 775 cm(-1) is observed in HREELS, compared with 766 cm(-1) calculated by DFT. The calculations also predict that the Ce=O bond is weak, with an oxygen vacancy formation energy of 0.85 eV. This could play an important role in the facile removal of lattice oxygen from CeO2, accompanied by the reduction of Ce-IV to Ce-III, which is a key attribute of ceria-based systems in connection with their unique catalytic properties.
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