Roughening of Copper (100) at Elevated CO Pressure: Cu Adatom and Cluster Formation Enable CO Dissociation
Kozlov, Sergey M.
KAUST DepartmentKAUST Catalysis Center (KCC)
Physical Sciences and Engineering (PSE) Division
Chemical Science Program
Permanent link to this recordhttp://hdl.handle.net/10754/629448
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AbstractCarbon monoxide participates in many copper-catalyzed reactions, which makes CO-induced structural changes of Cu catalysts key for important industrial processes. We have studied the interaction of carbon monoxide with the Cu(100) single crystal termination at 120, 200, and 300 K by means of low energy electron diffraction (LEED), temperature programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), polarization-modulation infrared reflection absorption spectroscopy (PM-IRAS), and density functional theory (DFT) calculations. The absorption band of CO (2082 to 2112 cm-1) at elevated gas pressure (up to 5 mbar) and at 200/300 K was found at higher wavenumber than the characteristic band of the c(2×2)CO structure, and was consistent with CO adsorbed on low-coordinated Cu atoms. The combined PM-IRAS/DFT analysis revealed that exposure to CO induces surface roughening through the formation of Cu adatoms and clusters on the (100) terraces. The roughened surface seemed surprisingly active for CO dissociation, which indicates its unique catalytic properties.
CitationRoiaz M, Falivene L, Rameshan C, Cavallo L, Kozlov SM, et al. (2018) Roughening of Copper (100) at Elevated CO Pressure: Cu Adatom and Cluster Formation Enable CO Dissociation. The Journal of Physical Chemistry C. Available: http://dx.doi.org/10.1021/acs.jpcc.8b07668.
SponsorsThis work was supported by the Austrian Science Fund (FWF) through projects DK+ Solids4Fun (W1243) and ComCat (I1041-N28), and by King Abdullah University of Science and Technology (KAUST). This research used resources of the Supercomputing Laboratory at KAUST.
PublisherAmerican Chemical Society (ACS)