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Copper Substrate Catalyzes Tetraazaperopyrene Polymerization

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Book cover High Performance Computing in Science and Engineering '11

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Abstract

The polymerization of tetraazaperopyrene (TAPP) molecules on a Cu(111) substrate, as observed in recent STM experiments, has been investigated in detail by first principles calculations. Tautomerization is the first step required for the formation of molecular dimers and polymers. The substrate is found to catalyze this tautomerization.

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References

  1. J V Barth, Annu. Rev. Phys. Chem. 58, 375 (2007).

    Article  Google Scholar 

  2. A Nilsson and L G M Pettersson, Surf. Sci. Rep. 55, 49 (2004).

    Article  Google Scholar 

  3. J A A W Elemans, S Lei, and S DeFeyter, Angew. Chem. Int. Ed. 48, 7298 (2009).

    Article  Google Scholar 

  4. S Lukas, G Witte, and C Wöll, Phys. Rev. Lett. 88, 028301 (2001).

    Article  Google Scholar 

  5. Q Chen and N V Richardson, Nature Materials 2, 324 (2003).

    Article  Google Scholar 

  6. S L Tait, A Langner, N Lin, R Chandrasekar, O Fuhr, M Ruben, and K Kern, ChemPhysChem 9, 2495 (2008).

    Article  Google Scholar 

  7. N Nyberg, M Odelius, A Nilsson, and L G M Petterson, J. Chem. Phys. 119, 12577 (2003).

    Article  Google Scholar 

  8. R Pawlak, S Clair, V Oison, M Abel, O Ourdjini, N A A Zwaneveld, D Gigmes, D Bertin, L Nony, and L Porte, ChemPhysChem 10, 1032 (2009).

    Article  Google Scholar 

  9. S Weigelt, C Busse, L Petersen, E Rauls, B Hammer, K V Gothelf, F Besenbacher, and T R Linderoth, Nature Materials 5, 112 (2006).

    Article  Google Scholar 

  10. S F Alvarado, W Rieß, M Jandke, and P Strohriegel, Org. Electronics 2, 75 (2001).

    Article  Google Scholar 

  11. C H Schmitz, J Ikonomov, and M Sokolowski, J. Phys. Chem. C 113, 11984 (2009).

    Article  Google Scholar 

  12. Y Okawa and M Aono, Nature 409, 683 (2001).

    Article  Google Scholar 

  13. O Endo, H Ootsubo, N Toda, M Suhara, H Ozaki, and Y Mazaki, J. Am. Chem. Soc. 126, 9894 (2004).

    Article  Google Scholar 

  14. L Grill, M Dyer, L Lafferentz, M Persson, M V Peters, and S Hecht, Nature Nanotech. 2, 687 (2007).

    Article  Google Scholar 

  15. S Weigelt, C Busse, C Bombis, M M Knudsen, K V Gothelf, T Strunskus, C Wöll, M Dahlbom, B Hammer, E Laegsgaard, F Besenbacher, and T R Linderoth, Angew. Chem. Int. Ed. 46, 9227 (2007).

    Article  Google Scholar 

  16. M Matena, T Riehm, M Stöhr, T A Jung, and L H Gade, Angew. Chem. Int. Ed. 47, 2414 (2008).

    Article  Google Scholar 

  17. M In’t Veld, P Iavicoli, S Haq, D B Amabilino, and R Raval, Chem. Commun., 1536 (2008).

    Google Scholar 

  18. S Weigelt, C Busse, C Bombis, M M Knudsen, K V Gothelf, E Lægsgaard, F Besenbacher, and T R Linderoth, Angew. Chem. Int. Ed. 47, 4406 (2008).

    Article  Google Scholar 

  19. N A A Zwaneveld, R Pawlak, M Abel, D Catalin, D Gigmes, D Bertin, and L Porte, J. Am. Chem. Soc. 130, 6678 (2008).

    Article  Google Scholar 

  20. M Treier, N V Richardson, and R Fasel, J. Am. Chem. Soc. 130, 14054 (2008).

    Article  Google Scholar 

  21. M Treier, R Fasel, N R Champness, S Argent, and N V Richardson, Phys. Chem. Chem. Phys. 11, 1209 (2009).

    Article  Google Scholar 

  22. J A Lipton-Duffin, O Ivasenko, D. F Perepichka, and F Rosei, Small 5, 592 (2009).

    Article  Google Scholar 

  23. M Matena, M Stöhr, T Riehm, J Björk, S Martens, M S Dyer, M Persson, J Lobo-Checa, K Müller, M Enache, H Wadepohl, J Zegenhagen, T A Jung, and L H Gade, Chem. Eur. J. 16, 2079 (2010).

    Article  Google Scholar 

  24. S Blankenburg, E Rauls, and W G Schmidt, J. Phys. Chem. Lett. 1, 3266 (2010).

    Article  Google Scholar 

  25. J Björk, M Matena, M S Dyer, M Enache, J Lobo-Checa, L H Gade, T A Jung, M Stöhr, and M Persson, Phys. Chem. Chem. Phys. 12, 8815 (2010).

    Article  Google Scholar 

  26. G Kresse and J Furthmüller, Comp. Mat. Sci. 6, 15 (1996).

    Article  Google Scholar 

  27. F London, Z. Phys. Chem. Abt. B 11, 222 (1930).

    Google Scholar 

  28. F Ortmann, F Bechstedt, and W G Schmidt, Phys. Rev. B 73, 205101 (2006).

    Article  Google Scholar 

  29. P E Blöchl, Phys. Rev. B 50, 17953 (1994).

    Article  Google Scholar 

  30. G Kresse and D Joubert, Phys. Rev. B 59, 1758 (1999).

    Article  Google Scholar 

  31. E Rauls, S Blankenburg, and W G Schmidt, Phys. Rev. B 81, 125401 (2010).

    Article  Google Scholar 

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Author information

Authors and Affiliations

  1. Lehrstuhl für Theoretische Physik, Universität Paderborn, 33095, Paderborn, Germany

    W. G. Schmidt, E. Rauls, U. Gerstmann, S. Sanna, M. Landmann, M. Rohrmüller & A. Riefer

  2. Dept. of Chemistry, University of California, One Shields Avenue, Davis, CA, 95616, USA

    S. Wippermann

  3. Eidgenössische Materialprüfungs- und Forschungsanstalt (EMPA), 8600, Dübendorf, Switzerland

    S. Blankenburg

Authors
  1. W. G. Schmidt
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  2. E. Rauls
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  3. U. Gerstmann
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  4. S. Sanna
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  5. M. Landmann
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  6. M. Rohrmüller
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  7. A. Riefer
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  8. S. Wippermann
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  9. S. Blankenburg
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Editor information

Editors and Affiliations

  1. Zentrum für Informationsdienste und, Hochleistungsrechnen (ZIH), TU Dresden, Helmholtzstr. 10, Dresden, 01069, Germany

    Wolfgang E. Nagel

  2. , Abt. Angewandte Mathematik, Universität Freiburg, Hermann-Herder-Str. 10, Freiburg, 79104, Germany

    Dietmar B. Kröner

  3. , Höchstleistungsrechenzentrum, Universität Stuttgart, Nobelstraße 19, Stuttgart, 70569, Germany

    Michael M. Resch

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© 2012 Springer-Verlag Berlin Heidelberg

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Schmidt, W.G. et al. (2012). Copper Substrate Catalyzes Tetraazaperopyrene Polymerization. In: Nagel, W., Kröner, D., Resch, M. (eds) High Performance Computing in Science and Engineering '11. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-23869-7_4

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