2000-2004 List of Publications Anders Nilsson

1. A. Föhlich, P. Bennich, J. Hasselström, O. Karis, A. Nilsson, M. Nyberg, L. Triguero, L. G. M. Pettersson, “How CO bond to Metals” J. Chem.Phys. 112 (2000) 1946.

2. M. Nyberg, J. Hasselström, O. Karis, N. Wassdahl, M. Weinelt, A. Nilsson and L. G. M. Pettersson, “The Electronic Structure and Surface Chemistry of Glycine Adsorbed on Cu (110)”, J. Chem. Phys.112 (2000) 5420.

3. O. Karis, J. Hasselström, N. Wassdahl, M. Weinelt, A. Nilsson, M. Nyberg, L. G. M. Pettersson, J. Stöhr and M. Samant, "The Bonding of Simple Carboxylic Acids on Cu(110)" J. Chem. Phys. 112 (2000) 8146.

4. A. Föhlich, P. Bennich, J. Hasselström, O. Karis, A. Nilsson, L. Triguero, M. Nyberg and L.G.M. Pettersson, “Ground State Interpretation of X-ray Emission Spectroscopy on Adsorbates: CO adsorbed on Cu(100), Phys. Rev. B61 (2000) 16229.

5. A. Föhlich, M. Nyberg, J. Hasselström, O. Karis, L. G. M. Pettersson and A. Nilsson “How CO adsorbs in Different Sites”, Phys.Rev. Lett.85 (2000) 3309.

6. A. Nilsson, J. Hasselström, A. Föhlisch, O. Karis, L. G. M. Pettersson, M. Nyberg and L. Triguero, “Probing Chemical Bonding in Adsorbates using X-ray Emission Spectroscopy”, invited”, J Electron Spectr. 110-111 (2000) 12.

7. J. Hasselström, O. Karis, M. Nyberg, L. G. M. Pettersson, M. Weinelt, N. Wassdahl and A. Nilsson, “The Electronic Structure at Chemically Important Functional Groups: Bonding of Glycine on Copper”, J. Phys. Chem. B104 (2000) 11480.

8. L. Triguero, A. Föhlisch, P. Väterlein, J. Hasselström, M. Weinelt, L. G. M. Pettersson, Yi Luo, H. Ågren and A. Nilsson, “Direct Experimental Measurement of Donation/Backdonation in Unsaturated Hydrocarbons on Metals, J. Am. Chem. Soc.122 (2000) 12310.

9. J. Hasselström, A. Föhlich, R. Denecke, A. Nilsson and F. M. F. de Groot, “Crystal Field Splitting in Coadsorbate systems; c(2x2) CO/K/Ni(100)”, Phys. Rev. B62 (2000) 11192.

10. O. Karis, M. Magnussson, T. Wiell, M. Weinelt, N. Wassdahl, A. Nilsson, N. Mårtensson, E. Holmström, A. M. N. Niklasson, O. Eriksson and B. Johansson, "Observation of Short and Long Range Hybridization of Buried Cu Monolayer in Ni", Phys. Rev. B62 (2000) R16293.

11. O. Karis, M. Magnussson, T. Wiell, M. Weinelt, N. Wassdahl, A. Nilsson, N. Mårtensson, E. Holmström, A. M. N. Niklasson, O. Eriksson and B. Johansson, "Probing Surface States of Cu/Ni Thin Films using X-ray Absorption Spectroscopy", Phys. Rev. B63 (2001) 113401

12. D. Nordlund, M. G. Garnier, N. Witkowski, R. Denecke, A. Nilsson, M. Nagasono, N. Mårtensson and A. Föhlisch, "Limits to the quantitative analysis of MARPE the case of c(2x2)O/Ni(100)", Phys. Rev. B63 (2001) 121402.

13. L. G. M. Pettersson, A. Nilsson, S. Myneni, Y. Luo, M. Nyberg, M. Cavalleri, L. Ojamäe, L. Å. Näslund, H. Ogasawara, M. Odelius and A. Pelmenschikov, “ Electronic Structure Effects from Hydrogen Bonding in the Liquid Phase and in Chemisorption: an Integrated Theory and Experimental Effort

J. Synchrotron Rad. 8 (2001) 136.

14. C. Puglia, P. Bennich, J. Hasselström, P. Bruhwiler, A. Nisson, Z. Y. Li, P. Rudolf and N. Mårtensson, “XPS and XAS study of oxygen coadsorbed with a disperse phase of K on graphite, Surf. Sci.488 (2001)1.

15. A. Föhlisch, O. Karis, M. Weinelt, J. Hasselström, A. Nilsson and N. Mårtensson, ” Auger Resonant Raman Scattering in Itinerant Electron Systems: Continuum Exciations in Cu”, Phys. Rev. Lett. 88 (2002) 27601.

16. S. Myneni, Y. Luo, L. A. Näslund, L. Ojamae, H. Ogasawara, A. Pelmenschikov, Ph Wernet, P. Väterlein, C. Heske, Z. Hussein, L. G. M. Pettersson, and A. Nilsson” Spectroscopic Evidence of Unique Hydrogen Bonding Structures in Liquid water”, J. Phys. Condens. Matter14 (2002) 213.

17. K. R. Wilson, M. Cavalleri, B. S. Rude, R. D. Schaller, A. Nilsson, L. G. M. Pettersson, N. Goldman, T. Catalano, J. D. Bozek and R. J. Saykally, “Characterization of the Hydrogen Bond Acceptor Molecules at the Water Surface using Near-Edge X-ray Absorption Fine-Structure Spectroscopy and Density Functional Theory” J. Phys. Condens. Matter14 (2002) 221.

18. M. Cavalleri, H. Ogasawara, L. G. M. Pettersson and A. Nilsson, ”The interpretation of X-ray absorption spectra of water and ice” Chem. Phys. Lett. 362 (2002) 363.

19. U. Bergmann, Ph. Wernet, P. Glatzel, M. Cavalleri, L. G. M. Pettersson, A. Nilsson and S. P. Cramer, ”X-ray Raman spectroscopy at the oxygen K edge of water and ice: Implications on local structure models” Phys. Rev. B66 (2002) 092107.

20. A. Nilsson, ”Applications of Core Level Spectroscopy to Adsorbates” J. Electron Spectr.126 (2002) 3.

21. S. Katano, Y. Kim, M. Furukawa, H. Ogasawara, T. Komeda, H.S. Kato, A. Nilsson, M. Kawai and K. Domen, "Scanning tunneling microscopy and near edge X-ray absorption fine structure studies of adsorption of trans-2-butene on Pd(110)" Jpn. J. Appl. Phys., 41 (2002) 4911.

22. H. Ogasawara, B. Brena, D. Nordlund, M. Nyberg, A. Pelmenschikov, L. G. M. Pettersson and A. Nilsson, Structure and bonding of water on Pt(111), Phys. Rev. Lett. 89 (2002) 276102.

23. H. Öström, L. Triguero, K. Weiss, H. Ogasawara, M.G. Garnier, D. Nordlund, M. Nyberg, L.G.M. Pettersson and A. Nilsson, “Orbital rehybridization in n-octane adsorbed on Cu(110)”, J. Chem. Phys. 118 (2003) 3790.

24. K. Weiss, H. Öström, L. Triguero, H. Ogasawara, M.G. Garnier, L.G.M. Pettersson and A. Nilsson, “XPS and NEXAFS investigation of condensed and adsorbed n-octane on a Cu(110) surface” J. Electron Spectr. 138 (2003) 179.

25. H. Öström, L. Triguero, M. Nyberg, H. Ogasawara, L. G. M. Pettersson and A. Nilsson ”Bonding of Saturated Hydrocarbons to Metal Surfaces”, Phys. Rev. Lett. 91 (2003) 46102.

26. M. Furukawa, H. Fujisawa, S. Katano, H. Ogasawara, Y. Kim, T. Komeda, A. Nilsson and M. Kawai, ”Geometrical characterization of pyrimidine base molecules adsorbed on Cu(110) surfaces: XPS and NEXAFS studies, Surf. Sci. 532-535 (2003) 261.

27. L. Å. Näslund, M. Cavalleri, H. Ogasawara, A. Nilsson, L. G.M. Pettersson, P. Wernet, D. C. Edwards, M. Sandström and S. Myneni, “Direct evidence of orbital mixing between water and solvated transition metal ions: An oxygen 1s XAS and DFT study of aqueous systems “, J.Phys.Chem. A107 (2003) 6869.

28. M. Magnusson, J. E. Rubensson, A. Föhlisch, N. Wassdahl, A. Nilsson and N. Mårtensson, “X-ray fluorescence spectra of metals excited below threshold”, Phys. Rev. B 68 , 045119 (2003).

29. M. Nyberg, M. Odelius, A. Nilsson and L.G.M. Pettersson, “ Hydrogen bonding between adsorbed glycine molecules on Cu(110)”,J. Chem. Phys. 119, 12577 (2003).

30. Ph. Wernet, D. Nordlund, U. Bergmann, H. Ogasawara, M. Cavalleri, L.Å. Näslund, T. K. Hirsch, L. Ojamäe, P. Glatzel, M. Odelius, L.G.M. Pettersson, and A. Nilsson, “ The structure of the first coordination shell in liquid water” , Science 304, 995 (2004).

31. H. Öström, A. Föhlisch, M. Nyberg, M. Weinelt, C. Heske, L.G.M. Pettersson and A. Nilsson, “Ethylene on Cu(110) and Ni(110): Electronic structure and bonding derived from X-ray spectroscopy and Theory”, Surf. Sci. 559, 85 (2004).

32. A. Föhlisch, W. Wurth, M. Stichler. C. Keller and A. Nilsson, “X-ray Emission Spectroscopy of CO on Ru(0001): Comparison to CO on Ni(100) and Cu(100)”,

J. Chem. Phys.121, 4848 (2004).

33. H. Öström, D. Nordlund, H. Ogasawara, K. Weiss, L. Triguero, L. G. M. Pettersson and A. Nilsson, ” Geometric Structure and Chemical Bonding of Acetylene Adsorbed on Cu(100)”, Surf. Sci.565, 206 (2004).

34. D. Nordlund, H. Ogasawara, Ph. Wernet, M. Nyberg, M. Odelius, L. G. M. Pettersson and A. Nilsson, ”Surface Structure of thin ice I h films” Chem. Phys. Lett. 395, 161 (2004).

35. B. Brena, D. Nordlund, M. Odelius, H. Ogasawara, A. Nilsson and L.G. M. Pettersson,”Ultrafast Molecular Dissociation of Water in Ice”, Phys. Rev. Lett.93, 148302 (2004).

36. M. Hakala, S. Huotari, K. Hämäläinen, S. Manninen, Ph. Wernet, A. Nilsson and L. G. M. Pettersson,” Compton Profiles for Water and Mixed Water-Neon Clusters: Measure of Coordination”, Phys. Rev. B 70 , 125413 (2004) .

37. A. Nilsson and L.G.M. Pettersson, “Chemical Bonding on Surfaces Probed by X-ray Emission Spectroscopy and Density Functional Theory”, Surf. Sci. Reps.55 (2004) 49.

38. M. Cavalleri, M. Odelius, A. Nilsson and L. G. M. Pettersson,” X-ray absorption spectra of water within a plane-wave Car-Parrinello molecular dynamics framework”, J. Chem. Phys. 21 (2004 ) 10065.

39. K. Andersson, A. Nikitin, L. G. M. Pettersson, A. Nilsson and H. Ogasawara, “ Water dissociation on Ru(001); an activated process”, Phys. Rev. Lett. 93 (2004) 196101 .

40. K. Andersson, M. Nyberg, H. Ogasawara, D. Nordlund, T. Kendelewicz, C. S. Doyle, G. E Brown Jr, L. G. M. Pettersson and A. Nilsson, “ Experimental and Theoretical Characterisation of the Structure of Defects at the Pyrite FeS 2(100) Surface”, Phys. Rev. B 70 (2004) 195404.

41. B. C. Garrett, D. A. Dixon, D. M. Camaioni, D. M. Chipman, M. A. Johnsson, C. D. Jonah, G. A. Kimmel, J. H. Miller, T. N. Rescigno, P. J. Rossky, S. S. Xantheas, S. D. Colson, A. H. Laufer, D. Ray, P. F. Barbara, D. M. Bartel, K. H. Becker, K. H. Bowen, S. E. Bradforth, I. Carmichael, J. V. Coe, L. R. Corrales, J. P Cowin, M. Dupuis, K. B. Eisenthal, J. A. Franz, M. S. Gutowski, K. D. Jordan, B. D. Kay, J. A. LaVerne, S. V. Lymar, T. E. Madey, C. W. McCurdy, S. Meisel, S. Mukamel, A. Nilsson, T. M. Orlando, N. G. Petrik, S. M. Pimblott, J. R. Rustad, G. K. Schenter, S. J. Singer, A. Tokmakoff, L-S. Wang, C. Wittig and T. S. Zwier, “ Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances”, Chem. Rev.105 (2005) 355.

42. A. Nilsson, L. G. M. Pettersson, B. Hammer, T. Bligaard, C. H. Christensen and J. K. Norskov, “The Electronic Structure Effect in Heterogenous Catalysis”, Catal. Lett. 100 (2005) 111.

43. A. Nilsson, H. Ogasawara, M. Cavelleri, D. Nordlund, M. Nyberg, Ph. Wernet and L. G. M. Pettersson, ” The Hydrogen Bond in Ice Probed by Soft X-ray Spectroscopy and Density Functional Theory”, J. Chem. Phys. 122 (2005) 154505.

44. A. Nilsson, Ph. Wernet, D. Nordlund, U. Bergmann, H. Ogasawara, M. Cavalleri, L.Å. Näslund, T. K. Hirsch, L. Ojamäe, P. Glatzel, M. Odelius and L.G.M. Pettersson, “ Comment on Energetics of Hydrogen Bond Network Rearrangements in Liquid Water”, Science308 (2005) 793a.

45. K. R. Wilson, M. Cavalleri, B. S. Rude, R. D. Schaller, T. Catalano, A. Nilsson, R. J. Saykally and L. G. M. Pettersson, “X-ray Absorption Spectroscopy of Liquid Methanol Microjets: Bulk Electronic Structure and Hydrogen Bonding Network”, J. Phys. Chem. B109 (2005) 10194.

46. K. Andersson, A. Gómez, C. Glover, D. Nordlund, H. Öström, T.Schiros a, O. Takahashi, H. Ogasawara, L.G.M Pettersson and A. Nilsson, “Molecularly Intact and Dissociative Adsorption of Water on Clean Cu(110): A Comparison with the Water/Ru(001) system”, Surf. Sci.585 (2005) L183.

47. M. Odelius, H. Ogasawara, D. Nordlund, O. Fuchs, L. Weinhardt, F. Maier, E. Umbach, C. Heske, Y. Zubavichus, M. Grunze, J. D. Denlinger, L. G. M. Pettersson and A. Nilsson, “Ultra-Fast Core Hole Induced Dynamics in Water Probed by X-ray Emission Spectroscopy”, Phys. Rev. Lett.94 (2005) 227401.

48. L. Å. Näslund, D. C. Edwards, Ph. Wernet, U. Bergmann, H. Ogasawara, L. G. M. Pettersson, S. Myneni and A. Nilsson, ”X-ray Absorption Spectroscopy Study of the Hydrogen Bond Network in the Bulk Water of Aqueous Solutions”, J. Phys. Chem. A in press.

49. L. Å. Näslund, J. Luning, Y. Ufuktepe, H. Ogasawara, Ph. Wernet, U. Bergmann, L. G. M. Pettersson and A. Nilsson, “X-ray Absorption Spectroscopy Measurements of Liquid Water“,J. Phys. Chem. A in press.

50. M. Cavalleri, M. Odelius, D. Nordlund, A. Nilsson and L. G. M. Pettersson, “Half and Full Core Hole Approximations in Computed X-ray Absorption Spectra of Water” Phys. Chem. Chem. Phys. in press.