from first principles PP-I-1

KL-5The “True” Explanation is Typically rather SimpleRupprechter G.Institute of Materials Chemistry, Vienna University of Technology,Getreidemarkt 9, 1060 Vienna, Austriagrupp@imc.tuwien.ac.atWe all know examples for that: people come up with models explaining mechanisms ofsurface reactions and, sometimes, the models may be rather fancy. When further resultsdisagree with the originally proposed and disseminated model, the model is modified tobecome even more complex. However, in many cases, the original model may simply bewrong. The current contribution discusses 4 examples of this “phenomenon”:i) the structure and selectivity of PdZn surface alloys [1,2], ii) hydrogen adsorption on Ga 2 O 3and reactions on PdGa-Ga 2 O 3 [3,4], iii) CO dissociation on noble metals [5,6], andiv) CO oxidation on metallic vs. oxidic surfaces [7,8].We show how a surface science approach utilizing in situ surface spectroscopy [9,10] andsurface microscopy [11,12] on model catalysts, together with corresponding studies oftechnological catalysts, hopefully provides the right answers. Does it ?References:[1] Ch. Rameshan, W. Stadlmayr, Ch. Weilach, S. Penner, H. Lorenz, M. Hävecker,R. Blume, T. Rocha, D. Teschner, A. Knop-Gericke, R. Schlögl, N. Memmel,D. Zemlyanov, G. Rupprechter, B. Klötzer, Angewandte Chemie International Edition,49 (2010) 3224-3227.[2] K. Föttinger, J.A. Van Bokhoven, M. Nachtegaal, G. Rupprechter, Journal of Physical ChemistryLetters, 2 (2011) 428-433.[3] W. Jochum, S. Penner, R. Kramer, K. Föttinger, G. Rupprechter, B. Klötzer, Journal of Catalysis,256 (2008) 278-286; 256 (2008) 268-277.[4] A. Haghofer, K. Föttinger, F. Girgsdies, D. Teschner, A. Knop-Gericke, R. Schlögl,G. Rupprechter, Journal of Catalysis, 286 (2012) 13–21.[5] K. Föttinger, R. Schlögl, G. Rupprechter, Chemical Communications, 2008, 320-322.[6] Ch. Weilach; Ch. Spiel; K. Föttinger, G. Rupprechter, Surface Science, 605 (2011) 1503–1509.[7] H. Gabasch, A. Knop-Gericke, R. Schlögl, M. Borasio, C. Weilach , G. Rupprechter,S. Penner, B. Jenewein, K. Hayek, B. Klötzer, Physical Chem. Chem. Physics, 9 (2007) 533.[8] K. Zorn, S. Giorgio, E. Halwax, C. R. Henry, H. Grönbeck, G. Rupprechter, Journal of PhysicalChemistry C, 115 (2011) 1103–1111.[9] Rupprechter, G., Advances in Catalysis 51 (2007) 133-263.[10] K. Föttinger, Ch. Weilach, G. Rupprechter, in: Characterisation of Solid Materials: FromStructure to Surface Reactivity, J. Vedrine, M. Che (Editors), Wiley-VCH, 2012, ISBN 978-3-527-32687-7.[11] Y. Suchorski, C. Spiel, D. Vogel, W. Drachsel, R. Schlögl, G. Rupprechter, Chem. Phys. Chem.11 (2010) 3231-3235.[12] D. Vogel, C. Spiel, Y. Suchorski, A. Urich, R. Schlögl, G. Rupprechter, Surf Sci. 605 (2011)1999-2005.20