Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111).
نویسندگان
چکیده
The chemical activity of oxygen vacancies on well-defined, single-crystal CeO2(111)-surfaces is investigated using CO as a probe molecule. Since no previous measurements are available, the assignment of the CO ν1 stretch frequency as determined by IR-spectroscopy for the stoichiometric and defective surfaces are aided by ab initio electronic structure calculations using density functional theory (DFT).
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عنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 16 44 شماره
صفحات -
تاریخ انتشار 2014