We report a detailed multi-technique investigation on the chemical activity of thin ZnO-layers supported on a Cu (111) substrate. The oxide thin film is prepared by subjecting a (111) brass single crystal substrate to different oxidations procedures and characterized by scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) under ultrahigh vacuum (UHV) conditions. Our results reveal the growth of thin ZnO adlayers which exhibit a pronounced difference in their chemical properties with regard to normal, Wurtzite-type ZnO substrates. Whereas for CO an increased binding energy relative to normal, Wurtzite-type ZnO is observed, for pyridine the binding energy is reduced substantially. The experimental findings are interpreted by comparing to the results of a rather extensive set quantum chemical calculations based on density functional theory (DFT). On the basis of the experimental findings and the theoretical results we conclude [1] that thin layers of ZnO on Cu(111) adopt a distorted structure in between the graphitic ZnO(gr) thin-film phase [2,3]  and the Wurtzite structure. [1] V. Schott, H. Oberhofer, A. Birkner, M. Xu, Y. Wang, M. Muhler, K. Reuter, Ch. W�ll,Angew. Chemie Intl. Edition, in print (2013).[2] C.L. Freeman, F. Claeyssens, N.L. Allan, and J.H. Harding, Phys. Rev. Lett., 2006. 96 (6): 066102.[3] C. Tusche, H.L. Meyerheim, and J. Kirschner, Physical Review Letters, 2007. 99 (2): 026102

Chemical activity of thin oxide layers: Strong support interactions yielding a new thin film phase of ZnO

247th National Meeting (2014)

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