Skip to main content
SpringerLink
Log in
Book cover

Defects at Oxide Surfaces pp 29–80Cite as

Atomic Scale Characterization of Defects on Oxide Surfaces

  • Chapter
  • First Online:

Part of the book series: Springer Series in Surface Sciences ((SSSUR,volume 58))

Abstract

The physics and chemistry of oxide surfaces cannot be recognized without taking into account the variety of lattice defects. Defects largely govern the electronic and optical properties of oxides, they offer potential binding sites for atoms and molecules, and serve as charge centers that control the donor or acceptor character of the material. In this contribution, we demonstrate how the nature of surface defects on oxides can be probed in an ensemble but also on the level of individual defects, focusing on defects on the surface of thin, single-crystalline oxide films of MgO and CeO2 as prototype examples for non-reducible and reducible oxides, respectively. Scanning probe techniques play a fundamental role in this respect, as they enable direct visualization of surface defects and provide insight into the electronic structure of defects and local potential modulations in their vicinity.

This is a preview of subscription content, log in via an institution.

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Hardcover Book
USD   109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

References

  1. M. Chen, D.W. Goodman, Catalytically active gold on ordered titania supports. Chem. Soc. Rev. 37, 1860–1870 (2008)

    Google Scholar 

  2. G. Ertl, H.-J. Freund, Catalysis and surface science. Phys. Today 52, 32–38 (1999)

    ADS  Google Scholar 

  3. H.-J. Freund, M. Heyde, N. Nilius, S. Schauermann, S. Shaikhutdinov, M. Sterrer, Model studies on heterogeneous catalysts at the atomic scale: from supported metal particles to two-dimensional zeolites. J. Catal. 308, 154–167 (2013)

    Google Scholar 

  4. M. Arenz, U. Landman, U. Heiz, CO combustion on supported gold clusters. ChemPhysChem 7, 1871–1879 (2006)

    Google Scholar 

  5. H.-J. Freund, G. Pacchioni, Oxide ultra-thin films on metals: new materials for the design of supported metal catalysts. Chem. Soc. Rev. 37, 2224–2242 (2008)

    Google Scholar 

  6. H.-J. Freund, D.W. Goodman, Ultrathin Oxide Films, in Handbook of Heterogeneous Catalysis, vol. 3, 2nd edn., ed. by G. Ertl, H. Knözinger, F. Schüth, J. Weitkamp (Wiley-VCH Verlagsgesellschaft mbH, Weinheim, 2008), pp. 1309–1338

    Google Scholar 

  7. G. Pacchioni, H. Freund, Electron transfer at oxide surfaces. The MgO paradigm: from defects to ultrathin films. Chem. Rev. 113, 4035–4072 (2012)

    Google Scholar 

  8. Y. Pan, Y. Cui, C. Stiehler, N. Nilius, H.-J. Freund, Gold adsorption on CeO2 thin films grown on Ru(0001). J. Phys. Chem. C 117, 21879–21885 (2013)

    Google Scholar 

  9. Y. Pan, N. Nilius, H.-J. Freund, J. Paier, C. Penschke, J. Sauer, Titration of Ce3+ ions in the CeO2(111) surface by Au adatoms. Phys. Rev. Lett. 111, 206101 (2013)

    ADS  Google Scholar 

  10. M. Haruta, Catalysis of gold nanoparticles deposited on metal oxides. CatTech 6, 102–115 (2002)

    Google Scholar 

  11. S. Coluccia, A.J. Tench, in Spectroscopic Studies of Hydrogen Adsorption on Highly Dispersed MgO, ed. by T. Seiyama, K. Tanabe. Studies in Surface Science and Catalysis, vol. 7, Part B (Elsevier, Amsterdam, 1981), pp. 1154–1169

    Google Scholar 

  12. E. Garrone, A. Zecchina, F.S. Stone, An experimental and theoretical evaluation of surface-states in MgO and other alkaline-earth oxides. Phil. Mag. B 42, 683–703 (1980)

    ADS  Google Scholar 

  13. J.D. Levine, P. Mark, Theory and observation of intrinsic surface states on ionic crystals. Phys. Rev. 144, 751–763 (1966)

    ADS  Google Scholar 

  14. H.F. Ivey, Spectral location of the absorption due to color centers in alkali halide crystals. Phys. Rev. 72, 341–343 (1947)

    ADS  Google Scholar 

  15. A.L. Shluger, P.V. Sushko, L.N. Kantorovich, Spectroscopy of low-coordinated surface sites: theoretical study of MgO. Phys. Rev. B 59, 2417–2430 (1999)

    ADS  Google Scholar 

  16. A.J. Tench, G.T. Pott, Surface states in some alkaline-earth oxides. Chem. Phys. Lett. 26, 590–592 (1974)

    ADS  Google Scholar 

  17. S. Coluccia, A.M. Deane, A.J. Tench, Photo-luminescent spectra of surface states in alkaline-earth oxides. J. Chem. Soc. Faraday Trans. I 74, 2913–2922 (1978)

    Google Scholar 

  18. V.A. Shvets, A.V. Kuznetsov, V.A. Fenin, V.B. Kazansky, On the nature of the luminescence centers on MgO surface. J. Chem. Soc. Faraday Trans. I 81, 2913–2919 (1985)

    Google Scholar 

  19. M. Anpo, Y. Yamada, Y. Kubokawa, S. Coluccia, A. Zecchina, M. Che, Photoluminescence properties of MgO powders with coordinatively unsaturated surface ions. J. Chem. Soc. Faraday Trans. I 84, 751–764 (1988)

    Google Scholar 

  20. M.L. Bailly, G.N. Costentin, J.M. Krafft, M. Che, Discrimination of MgO ions by means of an improved in situ photoluminescence cell and of propyne as probe molecule. Catal. Lett. 92, 101–105 (2004)

    Google Scholar 

  21. C. Chizallet, G. Costentin, H. Lauron-Pernot, J.M. Krafft, M. Che, F. Delbecq, P. Sautet, Assignment of photoluminescence spectra of MgO powders: TD-DFT cluster calculations combined to experiments. Part II. Hydroxylation effects. J. Phys. Chem. C 112, 19710–19717 (2008)

    Google Scholar 

  22. C. Chizallet, G. Costentin, H. Lauron-Pernott, J.M. Krafft, M. Che, F. Delbecq, P. Sautet, Assignment of photoluminescence spectra of MgO powders: TD-DFT cluster calculations combined to experiments. Part I: structure effects on dehydroxylated surfaces. J. Phys. Chem. C 112, 16629–16637 (2008)

    Google Scholar 

  23. A. Sternig, D. Koller, N. Siedl, O. Diwald, K. McKenna, Exciton formation at solid-solid interfaces: a systematic experimental and ab initio study on compressed MgO nanopowders. J. Phys. Chem. C 116, 10103–10112 (2012)

    Google Scholar 

  24. P.V. Sushko, K.P. McKenna, D.M. Ramo, A.L. Shluger, A. Sternig, S. Stankic, M. Müller, O. Diwald, in Photoluminescence Properties of Alkaline-Earth Oxide Nanoparticles, ed. by D.J. Lockwood, P. Mascher. Nanoscale Luminescent Materials, vol 28. ECS Transactions, vol 3. pp. 67–80 (2010)

    Google Scholar 

  25. A. Sternig, S. Stankic, M. Müller, N. Siedl, O. Diwald, Surface exciton separation in photoexcited MgO nanocube powders. Nanoscale 4, 7494–7500 (2012)

    ADS  Google Scholar 

  26. P.V. Sushko, A.L. Shluger, C.R.A. Catlow, Relative energies of surface and defect states: ab initio calculations for the MgO(001) surface. Surf. Sci. 450, 153–170 (2000)

    ADS  Google Scholar 

  27. P.V. Sushko, J.L. Gavartin, A.L. Shluger, Electronic properties of structural defects at the MgO (001) surface. J. Phys. Chem. B 106, 2269–2276 (2002)

    Google Scholar 

  28. Y. Chen, R.T. Williams, W.A. Sibley, Defect cluster centers in MgO. Phys. Rev. 182, 960–964 (1969)

    ADS  Google Scholar 

  29. R.L. Nelson, A.J. Tench, B.J. Harmswor, Chemisorption on some alkaline earth oxides. 1. Surface centers and fast irreversible oxygen adsorption on irradiated MgO CaO and SrO. Trans. Faraday Soc. 63, 1427–1446 (1967)

    Google Scholar 

  30. A.M. Ferrari, G. Pacchioni, Electronic structure of F and V centers on the MgO surface. J. Phys. Chem. 99, 17010–17018 (1995)

    Google Scholar 

  31. E. Scorza, U. Birkenheuer, C. Pisani, The oxygen vacancy at the surface and in bulk MgO: an embedded-cluster study. J. Chem. Phys. 107, 9645–9658 (1997)

    ADS  Google Scholar 

  32. A.J. Tench, R.L. Nelson, Paramagnetic defects associated with hydrogen adsorbed on surface of magnesium and calcium oxides. J. Colloid Interface Sci. 26, 364–373 (1968)

    Google Scholar 

  33. G. Pacchioni, P. Pescarmona, Structure and stability of oxygen vacancies on sub-surface, terraces, and low-coordinated surface sites of MgO: an ab initio study. Surf. Sci. 412–413, 657–671 (1998)

    Google Scholar 

  34. M.C. Paganini, M. Chiesa, E. Giamello, S. Coluccia, G. Martra, D.M. Murphy, G. Pacchioni, Colour centres at the surface of alkali-earth oxides. A new hypothesis on the location of surface electron traps. Surf. Sci. 421, 246–262 (1999)

    ADS  Google Scholar 

  35. J.H. Lunsford, J.P. Jayne, An electron paramagnetic resonance study of surface defects on magnesium oxide. J. Phys. Chem. 70, 3464–3469 (1966)

    Google Scholar 

  36. L. Ojamäe, C. Pisani, Theoretical characterization of divacancies at the surface and in bulk MgO. J. Chem. Phys. 109, 10984–10995 (1998)

    ADS  Google Scholar 

  37. D. Ricci, G. Pacchioni, P.V. Sushko, A.L. Shluger, Electron trapping at neutral divacancy sites on the MgO surface. J. Chem. Phys. 117, 2844–2851 (2002)

    ADS  Google Scholar 

  38. D. Ricci, C. Di Valentin, G. Pacchioni, P.V. Sushko, A.L. Shluger, E. Giamello, Paramagnetic defect centers at the MgO surface. An alternative model to oxygen vacancies. J. Am. Chem. Soc. 125, 738–747 (2003)

    Google Scholar 

  39. M. Chiesa, M.C. Paganini, E. Giamello, C. Di Valentin, G. Pacchioni, First evidence of a single-ion electron trap at the surface of an ionic oxide. Angew. Chem. Int. Ed. 42, 1759–1761 (2003)

    Google Scholar 

  40. B. Yoon, H. Hakkinen, U. Landman, A.S. Wörz, J.M. Antonietti, S. Abbet, K. Judai, U. Heiz, Charging effects on bonding and catalyzed oxidation of CO on Au-8 clusters on MgO. Science 307, 403–407 (2005)

    ADS  Google Scholar 

  41. C. Sousa, G. Pacchioni, F. Illas, Ab initio study of the optical transitions of F centers at low-coordinated sites of the MgO surface. Surf. Sci. 429, 217–228 (1999)

    ADS  Google Scholar 

  42. J. Kramer, C. Tegenkamp, H. Pfnür, Formation of surface color centers at differently coordinated sites: MgO/Ag(1,1,19). Phys. Rev. B 67, 235401 (2003)

    ADS  Google Scholar 

  43. L. Marchese, S. Coluccia, G. Martra, A. Zecchina, Dynamic and static interactions in CO layers adsorbed on MgO smoke (100) facelets—a FTIR and HRTEM study. Surf. Sci. 269, 135–140 (1992)

    ADS  Google Scholar 

  44. E. Knözinger, O. Diwald, M. Sterrer, Chemical vapour deposition—a new approach to reactive surface defects of uniform geometry on high surface area magnesium oxide. J. Mol. Catal. A 162, 83–95 (2000)

    Google Scholar 

  45. T. Berger, M. Sterrer, S. Stankic, J. Bernardi, O. Diwald, E. Knözinger, Trapping of photogenerated charges in oxide nanoparticles. Mat. Sci. Eng. 25, 664–668 (2005)

    Google Scholar 

  46. C. Barth, C.R. Henry, Atomic resolution imaging of the (001) surface of UHV cleaved MgO by dynamic scanning force microscopy. Phys. Rev. Lett. 91, 196102 (2003)

    ADS  Google Scholar 

  47. T.V. Ashworth, C.L. Pang, P.L. Wincott, D.J. Vaughan, G. Thornton, Imaging in situ cleaved MgO(100) with non-contact atomic force microscopy. Appl. Surf. Sci. 210, 2–5 (2003)

    ADS  Google Scholar 

  48. M.C. Wu, J.S. Corneille, C.A. Estrada, J.W. He, D.W. Goodman, Synthesis and characterization of ultra-thin MgO films on Mo(100). Chem. Phys. Lett. 182, 472–478 (1991)

    ADS  Google Scholar 

  49. S. Benedetti, H.M. Benia, N. Nilius, S. Valeri, H.-J. Freund, Morphology and optical properties of MgO thin films on Mo(001). Chem. Phys. Lett. 430, 330–335 (2006)

    ADS  Google Scholar 

  50. S. Benedetti, P. Torelli, S. Valeri, H.M. Benia, N. Nilius, G. Renaud, Structure and morphology of thin MgO films on Mo(001). Phys. Rev. B 78, 195411 (2008)

    ADS  Google Scholar 

  51. J. Wollschläger, D. Erdös, K.M. Schröder, The formation of mosaics during the reactive growth of MgO films on Ag(100). Surf. Sci. 402, 272–276 (1998)

    ADS  Google Scholar 

  52. S. Schintke, S. Messerli, M. Pivetta, F. Patthey, L. Libioulle, M. Stengel, A. De Vita, W.D. Schneider, Insulator at the ultrathin limit: MgO on Ag(001). Phys. Rev. Lett. 87, 276801 (2001)

    ADS  Google Scholar 

  53. M. Sterrer, unpublished results

    Google Scholar 

  54. J. Pal, M. Smerieri, E. Celasco, L. Savio, L. Vattuone, M. Rocca, Morphology of monolayer MgO films on Ag(100): switching from corrugated islands to extended flat terrace. Phys. Rev. Lett. 112, 126102 (2014)

    Google Scholar 

  55. A. Zecchina, S. Coluccia, G. Spoto, D. Scarano, L. Marchese, Revisiting MgO-CO surface chemistry—an IR investigation. J. Chem. Soc. Faraday Trans. 86, 703–709 (1990)

    Google Scholar 

  56. S. Coluccia, M. Baricco, L. Marchese, G. Martra, A. Zecchina, Surface morphology and reactivity towards CO of MgO particles - FTIR and HRTEM studies. Spectrochim. Acta A 49, 1289–1298 (1993)

    ADS  Google Scholar 

  57. G. Spoto, E.N. Gribov, G. Ricchiardi, A. Damin, D. Scarano, S. Bordiga, C. Lamberti, A. Zecchina, Carbon monoxide MgO from dispersed solids to single crystals: a review and new advances. Prog. Surf. Sci. 76, 71–146 (2004)

    ADS  Google Scholar 

  58. J. Heidberg, M. Kandel, D. Meine, U. Wildt, The monolayer CO adsorbed on MgO(100) detected by polarization infrared-spectroscopy. Surf. Sci. 331, 1467–1472 (1995)

    ADS  Google Scholar 

  59. G. Spoto, E. Gribov, A. Damin, G. Ricchiardi, A. Zecchina, The IR spectra of Mg-5C(2+)(CO) complexes on the (001) surfaces of polycrystalline and single crystal MgO. Surf. Sci. 540, L605–L610 (2003)

    ADS  Google Scholar 

  60. P. Audibert, M. Sidoumou, J. Suzanne, CO adsorbed on MgO(100)—a high-resolution LEED study. Surf. Sci. 273, L467–L471 (1992)

    ADS  Google Scholar 

  61. R. Gerlach, A. Glebov, G. Lange, J.P. Toennies, H. Weiss, Structure and dynamics of CO/MgO(001)—a helium atom scattering study. Surf. Sci. 331, 1490–1495 (1995)

    ADS  Google Scholar 

  62. M. Sterrer, T. Risse, H.-J. Freund, Low temperature infrared spectra of CO adsorbed on the surface of MgO(001) thin films. Surf. Sci. 596, 222–228 (2005)

    ADS  Google Scholar 

  63. L. Marchese, S. Coluccia, G. Martra, A. Zecchina, Dynamic and static interactions in CO layers adsorbed on MgO smoke (100) facelets: a FTIR and HRTEM study. Surf. Sci. 269–270, 135–140 (1992)

    Google Scholar 

  64. R. Wichtendahl, M. Rodriguez-Rodrigo, U. Härtel, H. Kuhlenbeck, H.-J. Freund, Thermodesorption of CO and NO from vacuum-cleaved NiO(100) and MgO(100). Phys. Stat. Sol. A 173, 93–100 (1999)

    ADS  Google Scholar 

  65. Z. Dohnalek, G.A. Kimmel, S.A. Joyce, P. Ayotte, R.S. Smith, B.D. Kay, Physisorption of CO on the MgO(100) surface. J. Phys. Chem. B 105, 3747–3751 (2001)

    Google Scholar 

  66. M. Sterrer, T. Risse, H.-J. Freund, CO adsorption on the surface of MgO(001) thin films. Appl. Catal. A 307, 58–61 (2006)

    Google Scholar 

  67. J.W. He, J.S. Corneille, C.A. Estrada, M.C. Wu, D.W. Goodman, CO interaction with ultrathin MgO films on a Mo(100) surface studied by infrared reflection absorption spectroscopy, temperature programmed desorption, and X-ray photoelectron spectroscopy. J. Vac. Sci. Technol. A 10, 2248–2252 (1992)

    ADS  Google Scholar 

  68. G. Pacchioni, Quantum chemistry of oxide surfaces: from CO chemisorption to the identification of the structure and nature of point defects on MgO. Surf. Rev. Lett. 7, 277–306 (2000)

    Google Scholar 

  69. R. Valero, R. Costa, I. Moreira, D.G. Truhlar, F. Illas, Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules. J. Chem. Phys. 128, 114103 (2008)

    ADS  Google Scholar 

  70. A.D. Boese, J. Sauer, Accurate adsorption energies of small molecules on oxide surfaces: CO-MgO(001). Phys. Chem. Chem. Phys. 15, 16481–16493 (2013)

    Google Scholar 

  71. S. Ehrlich, J. Moellmann, W. Reckien, T. Bredow, S. Grimme, System-dependent dispersion coefficients for the DFT-D3 treatment of adsorption processes on ionic surfaces. ChemPhysChem 12, 3414–3420 (2011)

    Google Scholar 

  72. C.R. Henry, C. Chapon, C. Duriez, S. Giorgio, Growth and morphology of palladium particles epitaxially deposited on a MgO(110) surface. Surf. Sci. 253, 177–189 (1991)

    ADS  Google Scholar 

  73. G. Haas, A. Menck, H. Brune, J.V. Barth, J.A. Venables, K. Kern, Nucleation and growth of supported clusters at defect sites: Pd/MgO(001). Phys. Rev. B 61, 11105–11108 (2000)

    ADS  Google Scholar 

  74. C. Barth, C.R. Henry, Kelvin probe force microscopy on MgO(001) surfaces and supported Pd nanoclusters. J. Phys. Chem. C 113, 247–253 (2009)

    Google Scholar 

  75. S. Abbet, E. Riedo, H. Brune, U. Heiz, A.M. Ferrari, L. Giordano, G. Pacchioni, Identification of defect sites on MgO(100) thin films by decoration with Pd atoms and studying CO adsorption properties. J. Am. Chem. Soc. 123, 6172–6178 (2001)

    Google Scholar 

  76. M. Sterrer, T. Risse, L. Giordano, M. Heyde, N. Nilius, H.P. Rust, G. Pacchioni, H.-J. Freund, Palladium monomers, dimers, and trimers on the MgO(001) surface viewed individually. Angew. Chem. Int. Ed. 46, 8703–8706 (2007)

    Google Scholar 

  77. M. Sterrer, unpublished results

    Google Scholar 

  78. V.E. Henrich, G. Dresselhaus, H.J. Zeiger, Energy-dependent electron-energy-loss spectroscopy—application to the surface and bulk electronic-structure of MgO. Phys. Rev. B 22, 4764–4775 (1980)

    ADS  Google Scholar 

  79. M.C. Wu, C.M. Truong, D.W. Goodman, Electron-energy-loss-spectroscopy studies of thermally generated defects in pure and lithium-doped MgO(100) films on Mo(100). Phys. Rev. B 46, 12688–12694 (1992)

    ADS  Google Scholar 

  80. A. Kolmakov, J. Stultz, D.W. Goodman, Characterization of surface defects on MgO thin films by ultraviolet photoelectron and metastable impact electron spectroscopies. J. Chem. Phys. 113, 7564–7570 (2000)

    ADS  Google Scholar 

  81. J. Kramer, W. Ernst, C. Tegenkamp, H. Pfnür, Mechanism and kinetics of color center formation on epitaxial thin films of MgO. Surf. Sci. 517, 87–97 (2002)

    ADS  Google Scholar 

  82. F. Illas, G. Pacchioni, Optical properties of surface and bulk F centers in MgO from ab initio cluster model calculations. J. Chem. Phys. 108, 7835–7841 (1998)

    ADS  Google Scholar 

  83. M. Sterrer, E. Fischbach, T. Risse, H.-J. Freund, Geometric characterization of a singly charged oxygen vacancy on a single-crystalline MgO(001) film by electron paramagnetic resonance spectroscopy. Phys. Rev. Lett. 94, 186101 (2005)

    ADS  Google Scholar 

  84. M. Sterrer, M. Heyde, M. Novicki, N. Nilius, T. Risse, H.P. Rust, G. Pacchioni, H.-J. Freund, Identification of color centers on MgO(001) thin films with scanning tunneling microscopy. J. Phys. Chem. B 110, 46–49 (2006)

    Google Scholar 

  85. T. König, G.H. Simon, H.P. Rust, G. Pacchioni, M. Heyde, H.-J. Freund, Measuring the charge state of point defects on MgO/Ag(001). J. Am. Chem. Soc. 131, 17544–17545 (2009)

    Google Scholar 

  86. M. Klaua, D. Ullmann, J. Barthel, W. Wulfhekel, J. Kirschner, R. Urban, T.L. Monchesky, A. Enders, J.F. Cochran, B. Heinrich, Growth, structure, electronic, and magnetic properties of MgO/Fe(001) bilayers and Fe/MgO/Fe(001) trilayers. Phys. Rev. B 64, 134411 (2001)

    ADS  Google Scholar 

  87. M. Sterrer, E. Fischbach, M. Heyde, N. Nilius, H.P. Rust, T. Risse, H.-J. Freund, Electron paramagnetic resonance and scanning tunneling microscopy investigations on the formation of F+ and F-0 color centers on the surface of thin MgO(001) films. J. Phys. Chem. B 110, 8665–8669 (2006)

    Google Scholar 

  88. S.L. Ling, M.B. Watkins, A.L. Shluger, Effects of oxide roughness at metal oxide interface: MgO on Ag(001). J. Phys. Chem. C 117, 5075–5083 (2013)

    Google Scholar 

  89. L. Giordano, U. Martinez, G. Pacchioni, M. Watkins, A.L. Shluger, F and F+ centers on MgO/Ag(100) or MgO/Mo(100) ultrathin films: are they stable? J. Phys. Chem. C 112, 3857–3865 (2008)

    Google Scholar 

  90. K.M. Neyman, C. Inntam, A.V. Matveev, V.A. Nasluzov, N. Rösch, Single d-metal atoms on F-s and F-s(+) defects of MgO(001): a theoretical study across the periodic table. J. Am. Chem. Soc. 127, 11652–11660 (2005)

    Google Scholar 

  91. L. Giordano, C. Di Valentin, J. Goniakowski, G. Pacchioni, Nucleation of Pd dimers at defect sites of the MgO(100) surface. Phys. Rev. Lett. 92, 096105 (2004)

    ADS  Google Scholar 

  92. A. Del Vitto, G. Pacchioni, F.O. Delbecq, P. Sautet, Au atoms and dimers on the MgO(100) surface: a DFT study of nucleation at defects. J. Phys. Chem. B 109, 8040–8048 (2005)

    Google Scholar 

  93. A. Bogicevic, D.R. Jennison, Effect of oxide vacancies on metal island nucleation. Surf. Sci. 515, L481–L486 (2002)

    ADS  Google Scholar 

  94. H. Häkkinen, W. Abbet, A. Sanchez, U. Heiz, U. Landman, Structural, electronic, and impurity-doping effects in nanoscale chemistry: supported gold nanoclusters. Angew. Chem. Int. Ed. 42, 1297–1300 (2003)

    Google Scholar 

  95. T. König, G.H. Simon, U. Martinez, L. Giordano, G. Pacchioni, M. Heyde, H.-J. Freund, Direct measurement of the attractive interaction forces on F-0 color centers on MgO(001) by dynamic force microscopy. ACS Nano. 4, 2510–2514 (2010)

    Google Scholar 

  96. M. Sterrer, M. Yulikov, E. Fischbach, M. Heyde, H.-P. Rust, G. Pacchioni, T. Risse, H.-J. Freund, Interaction of gold clusters with color centers on MgO(001) films. Angew. Chem. Int. Ed. 45, 2630–2632 (2006)

    Google Scholar 

  97. M. Walter, P. Frondelius, K. Honkala, H. Hakkinen, Electronic structure of MgO-supported Au clusters: quantum dots probed by scanning tunneling microscopy. Phys. Rev. Lett. 99, 096102 (2007)

    ADS  Google Scholar 

  98. M. Sterrer, T. Risse, U.M. Pozzoni, L. Giordano, M. Heyde, H.P. Rust, G. Pacchioni, H.-J. Freund, Control of the charge state of metal atoms on thin MgO films. Phys. Rev. Lett. 98, 096107 (2007)

    ADS  Google Scholar 

  99. M. Yulikov, M. Sterrer, M. Heyde, H.P. Rust, T. Risse, H.-J. Freund, G. Pacchioni, A. Scagnelli, Binding of single gold atoms on thin MgO(001) films. Phys. Rev. Lett. 96, 146804 (2006)

    ADS  Google Scholar 

  100. M. Mihaylov, H. Knözinger, K. Hadjiivanov, B.C. Gates, Characterization of the oxidation states of supported gold species by IR spectroscopy of adsorbed CO. Chem. Ing. Tech. 79, 795–806 (2007)

    Google Scholar 

  101. M. Sterrer, M. Yulikov, T. Risse, H.-J. Freund, J. Carrasco, F. Illas, C. Di Valentin, L. Giordano, G. Pacchioni, When the reporter induces the effect: unusual IR spectra of CO on Au-1/MgO(001)/Mo(001). Angew. Chem. Int. Ed. 45, 2633–2635 (2006)

    Google Scholar 

  102. P.A. Cox, Transition metal oxides (An introduction to their electronic structure and properties. Clarendon, Oxford, 1992)

    Google Scholar 

  103. S. Surnev, M.G. Ramsey, F.P. Netzer, Vanadium oxide surface studies. Prog. Surf. Sci. 73, 117–165 (2003)

    ADS  Google Scholar 

  104. N.V. Skorodumova, S.I. Simak, B.I. Lundqvist, I.A. Abrikosov, B. Johansson, Quantum origin of the oxygen storage capability of ceria. Phys. Rev. Lett. 89, 166601 (2002)

    ADS  Google Scholar 

  105. A. Hamnet, G.B. Goodenough, Binary Transition Metal Oxides (Springer, Berlin, 1984)

    Google Scholar 

  106. C. Hagendorf, S. Sachert, B. Bochmann, K. Kostov, W. Widdra, Growth, atomic structure, and vibrational properties of MnO ultrathin films on Pt(111). Phys. Rev. B 77, 075406 (2008)

    ADS  Google Scholar 

  107. B. Tepper, B. Richter, A.-C. Dupuis, H. Kuhlenbeck, C. Hucho, P. Schilbe, M.A. bin Yarmo, H.-J. Freund, Adsorption of molecular and atomic hydrogen on vacuum-cleaved V2O5(001). Surf. Sci. 496, 64–72 (2002)

    ADS  Google Scholar 

  108. A.C. Dupuis, M. Abu Haija, B. Richter, H. Kuhlenbeck, H.-J. Freund, V2O3(0001) on Au(111) and W(110): growth, termination and electronic structure. Surf. Sci. 539, 99–112 (2003)

    ADS  Google Scholar 

  109. D.R. Mullins, P.V. Radulovic, S.H. Overbury, Ordered cerium oxide thin films grown on Ru(0001) and Ni(111). Surf. Sci. 429, 186–198 (1999)

    ADS  Google Scholar 

  110. D.R. Mullins, L. Kundakovic, S.H. Overbury, The interaction between NO and CO on Rh-loaded CeOx(111). J. Catal. 195, 169–179 (2000)

    Google Scholar 

  111. C.J. Zhang, A. Michaelides, S.J. Jenkins, Theory of gold on ceria. Phys. Chem. Chem. Phys. 13, 22–33 (2011)

    Google Scholar 

  112. J. Paier, C. Penschke, J. Sauer, Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment. Chem. Rev. 113, 3949–3985 (2013)

    Google Scholar 

  113. C.J. Zhang, A. Michaelides, D.A. King, S.J. Jenkins, Oxygen vacancy clusters on ceria: decisive role of cerium f electrons. Phys. Rev. B 79, 075433 (2009)

    ADS  Google Scholar 

  114. A. Trovarelli, Catalysis by Ceria and Related Materials (World Scientific Publishing, London, 2002)

    Google Scholar 

  115. Q. Fu, H. Saltsburg, M. Flytzani-Stephanopoulos, Active nonmetallic Au and Pt species on ceria-based water-gas shift catalysts. Science 301, 935–938 (2003)

    ADS  Google Scholar 

  116. J.A. Rodriguez, Gold-based catalysts for the water-gas shift reaction: active sites and reaction mechanism. Catal. Today 160, 3–10 (2011)

    Google Scholar 

  117. A. Pfau, K.D. Schierbaum, The electronic structure of stoichiometric and reduced CeO2 surfaces—an XPS, UPS and HREELS study. Surf. Sci. 321, 71–80 (1994)

    ADS  Google Scholar 

  118. P.S. Bagus, C.J. Nelin, E.S. Ilton, M. Baron, H. Abbott, E. Primorac, H. Kuhlenbeck, S. Shaikhutdinov, H.-J. Freund, The complex core level spectra of CeO2: an analysis in terms of atomic and charge transfer effects. Chem. Phys. Lett. 487, 237–240 (2010)

    ADS  Google Scholar 

  119. E. Wuilloud, B. Delley, W.D. Schneider, Y. Baer, Spectroscopic evidence for localized and extended F-symmetry states in CeO2. Phys. Rev. Lett. 53, 202–205 (1984)

    ADS  Google Scholar 

  120. H. Nörenberg, G.A.D. Briggs, Defect structure of nonstoichiometric CeO2(111) surfaces studied by scanning tunneling microscopy. Phys. Rev. Lett. 79, 4222–4225 (1997)

    ADS  Google Scholar 

  121. H. Nörenberg, G.A.D. Briggs, Surface structure of CeO2(111) studied by low current STM and electron diffraction. Surf. Sci. 402, 734–737 (1998)

    ADS  Google Scholar 

  122. F. Esch, S. Fabris, L. Zhou, T. Montini, C. Africh, P. Fornasiero, G. Comelli, R. Rosei, Electron localization determines defect formation on ceria substrates. Science 309, 752–755 (2005)

    ADS  Google Scholar 

  123. M.V. Ganduglia-Pirovano, J.L.F. Da Silva, J. Sauer, Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111). Phys. Rev. Lett. 102, 026101 (2009)

    ADS  Google Scholar 

  124. S. Torbrügge, M. Reichling, A. Ishiyama, S. Morita, O. Custance, Evidence of subsurface oxygen vacancy ordering on reduced CeO2(111). Phys. Rev. Lett. 99, 056101 (2007)

    ADS  Google Scholar 

  125. G.E. Murgida, M.V. Ganduglia-Pirovano, Evidence for subsurface ordering of oxygen vacancies on the reduced CeO2(111) surface using density-functional and statistical calculations. Phys. Rev. Lett. 110, 246101 (2013)

    ADS  Google Scholar 

  126. D.C. Grinter, R. Ithnin, C.L. Pang, G. Thornton, Defect structure of ultrathin ceria films on Pt(111): atomic views from scanning tunnelling microscopy. J. Phys. Chem. C 114, 17036–17041 (2010)

    Google Scholar 

  127. S. Eck, C. Castellarin-Cudia, S. Surnev, K.C. Prince, M.G. Ramsey, F.P. Netzer, Adsorption and reaction of CO on a ceria-Rh(111) “inverse model catalyst” surface. Surf. Sci. 536, 166–176 (2003)

    ADS  Google Scholar 

  128. M. Nolan, S.C. Parker, G.W. Watson, The electronic structure of oxygen vacancy defects at the low index surfaces of ceria. Surf. Sci. 595, 223–232 (2005)

    ADS  Google Scholar 

  129. S. Fabris, G. Vicario, G. Balducci, S. de Gironcoli, S. Baroni, Electronic and atomistic structures of clean and reduced ceria surfaces. J. Phys. Chem. B 109, 22860–22867 (2005)

    Google Scholar 

  130. H.Y. Li, H.F. Wang, X.Q. Gong, Y.L. Guo, Y. Guo, G.Z. Lu, P. Hu, Multiple configurations of the two excess 4f electrons on defective CeO2(111): origin and implications. Phys. Rev. B 79, 193401 (2009)

    ADS  Google Scholar 

  131. C. Loschen, S.T. Bromley, K.M. Neyman, F. Illas, Understanding ceria nanoparticles from first-principles calculations. J. Phys. Chem. C 111, 10142–10145 (2007)

    Google Scholar 

  132. A. Migani, K.M. Neyman, F. Illas, S.T. Bromley, Exploring Ce3+/Ce4+ cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations. J. Chem. Phys. 131, 064701 (2009)

    ADS  Google Scholar 

  133. J.L. Lu, H.J. Gao, S. Shaikhutdinov, H.-J. Freund, Morphology and defect structure of the CeO2(111) films grown on Ru(0001) as studied by scanning tunneling microscopy. Surf. Sci. 600, 5004–5010 (2006)

    ADS  Google Scholar 

  134. J.L. Lu, H.J. Gao, S. Shaikhutdinov, H.-J. Freund, Gold supported on well-ordered ceria films: nucleation, growth and morphology in CO oxidation reaction. Catal. Lett. 114, 8–16 (2007)

    Google Scholar 

  135. J.F. Jerratsch, X. Shao, N. Nilius, H.-J. Freund, C. Popa, M.V. Ganduglia-Pirovano, A.M. Burow, J. Sauer, Electron localization in defective ceria films: a study with scanning-tunneling microscopy and density-functional theory. Phys. Rev. Lett. 106, 246801 (2011)

    ADS  Google Scholar 

  136. X. Shao, J.F. Jerratsch, N. Nilius, H.-J. Freund, Probing the 4f states of ceria by tunneling spectroscopy. Phys. Chem. Chem. Phys. 13, 12646–12651 (2011)

    Google Scholar 

  137. C. Müller, B. Herschend, K. Hermansson, B. Paulus, Application of the method of increments to the adsorption of CO on the CeO(2)(110) surface. J. Chem. Phys. 128, 214701 (2008)

    ADS  Google Scholar 

  138. Z. Lu, C. Müller, Z. Yang, K. Hermansson, SOx on ceria from adsorbed SO2. J. Chem. Phys. 134, 184703 (2011)

    ADS  Google Scholar 

  139. K. Mudiyanselage, H.Y. Kim, S.D. Senanayake, A.E. Baber, P. Liu, D. Stacchiola, Probing adsorption sites for CO on ceria. Phys. Chem. Chem. Phys. 15, 15856–15862 (2013)

    Google Scholar 

  140. M. Molinari, S.C. Parker, D.C. Sayle, M.S. Islam, Water adsorption and its effect on the stability of low index stoichiometric and reduced surfaces of ceria. J. Phys. Chem. C 116, 7073–7082 (2012)

    Google Scholar 

  141. M. Huang, S. Fabris, Role of surface peroxo and superoxo species in the low-temperature oxygen buffering of ceria: density functional theory calculations. Phys. Rev. B 75, 081404 (2007)

    ADS  Google Scholar 

  142. I. Yeriskin, M. Nolan, Effect of La doping on CO adsorption at ceria surfaces. J. Chem. Phys. 131, 244702 (2009)

    ADS  Google Scholar 

  143. B. Li, H. Metiu, DFT studies of oxygen vacancies on undoped and doped La2O3 surfaces. J. Phys. Chem. C 114, 12234–12244 (2010)

    Google Scholar 

  144. Z.P. Hu, B. Li, X.Y. Sun, H. Metiu, Chemistry of doped oxides: the activation of surface oxygen and the chemical compensation effect. J. Phys. Chem. C 115, 3065–3074 (2011)

    Google Scholar 

  145. T. Bunluesin, R.J. Gorte, G.W. Graham, Studies of the water-gas-shift reaction on ceria-supported Pt, Pd, and Rh: implications for oxygen-storage properties. Appl. Catal. B 15, 107–114 (1998)

    Google Scholar 

  146. G.N. Vayssilov, Y. Lykhach, A. Migani, T. Staudt, G.P. Petrova, N. Tsud, T. Skala, A. Bruix, F. Illas, K.C. Prince, V. Matolin, K.M. Neyman, J. Libuda, Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles. Nat. Mater. 10, 310–315 (2011)

    ADS  Google Scholar 

  147. C. Loschen, A. Migani, S.T. Bromley, F. Illas, K.M. Neyman, Density functional studies of model cerium oxide nanoparticles. Phys. Chem. Chem. Phys. 10, 5730–5738 (2008)

    Google Scholar 

  148. M.M. Branda, N.J. Castellani, R. Grau-Crespo, N.H. de Leeuw, N.C. Hernandez, J.F. Sanz, K.M. Neyman, F. Illas, On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO2(111). J. Chem. Phys. 131, 094702 (2009)

    ADS  Google Scholar 

  149. C. Zhang, A. Michaelides, D.A. King, S.J. Jenkins, Structure of gold atoms on stoichiometric and defective ceria surfaces. J. Chem. Phys. 129, 194708 (2008)

    ADS  Google Scholar 

  150. G. Pacchioni, Electronic interactions and charge transfers of metal atoms and clusters on oxide surfaces. Phys. Chem. Chem. Phys. 15, 1737–1757 (2013)

    Google Scholar 

  151. M. Skoda, M. Cabala, I. Matolinova, K.C. Prince, T. Skala, F. Sutara, K. Veltruska, V. Matolin, Interaction of Au with CeO2(111): a photoemission study. J. Chem. Phys. 130, 034703 (2009)

    ADS  Google Scholar 

  152. Q. Fu, W.L. Deng, H. Saltsburg, M. Flytzani-Stephanopoulos, Activity and stability of low-content gold-cerium oxide catalysts for the water-gas shift reaction. Appl. Catal. B 56, 57–68 (2005)

    Google Scholar 

  153. R. Si, J. Tao, J. Evans, J.B. Park, L. Barrio, J.C. Hanson, Y.M. Zhu, J. Hrbek, J.A. Rodriguez, Effect of ceria on gold-titania catalysts for the water-gas shift reaction: fundamental studies for Au/CeOx/TiO2(110) and Au/CeOx/TiO2 powders. J. Phys. Chem. C 116, 23547–23555 (2012)

    Google Scholar 

  154. N. Nilius, M.V. Ganduglia-Pirovano, V. Brazdova, M. Kulawik, J. Sauer, H.-J. Freund, Counting electrons transferred through a thin alumina film into Au chains. Phys. Rev. Lett. 100, 096802 (2008)

    ADS  Google Scholar 

  155. X. Lin, N. Nilius, H.-J. Freund, M. Walter, P. Frondelius, K. Honkala, H. Hakkinen, Quantum well states in two-dimensional gold clusters on MgO thin films. Phys. Rev. Lett. 102, 206801 (2009)

    ADS  Google Scholar 

  156. N. Nilius, V. Brazdova, M.V. Ganduglia-Pirovano, V. Simic-Milosevic, J. Sauer, H.-J. Freund, Nucleation of gold atoms on vanadyl-terminated V2O3(0001). New J. Phys. 11, 093007 (2009)

    ADS  Google Scholar 

  157. P. Ghosh, M.F. Camellone, S. Fabris, Fluxionality of Au clusters at ceria surfaces during CO oxidation: relationships among reactivity, size, cohesion, and surface defects from DFT simulations. J. Phys. Chem. Lett. 4, 2256–2263 (2013)

    Google Scholar 

  158. H.-J. Freund, Introductory lecture: oxide surfaces. Faraday Discuss. 114, 1–31 (1999)

    MathSciNet  ADS  Google Scholar 

  159. G. Pacchioni, Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity. Solid State Sci. 2, 161–179 (2000)

    ADS  Google Scholar 

  160. C.T. Campbell, Ultrathin metal films and particles on oxide surfaces: structural, electronic and chemisorptive properties. Surf. Sci. Rep. 27, 1–111 (1997)

    ADS  Google Scholar 

  161. W. Weiss, W. Ranke, Surface chemistry and catalysis on well-defined epitaxial iron-oxide layers. Prog. Surf. Sci. 70, 1–151 (2002)

    ADS  Google Scholar 

  162. N. Nilius, Properties of oxide thin films and their adsorption behavior studied by scanning tunneling microscopy and conductance spectroscopy. Surf. Sci. Rep. 64, 595–659 (2009)

    ADS  Google Scholar 

  163. M. Bäumer, H.-J. Freund, Metal deposits on well-ordered oxide films. Prog. Surf. Sci. 61, 127–198 (1999)

    ADS  Google Scholar 

  164. I.V. Markov, Crystal Growth for Beginners (World Scientific, Singapore, 2003)

    Google Scholar 

  165. J. Libuda, F. Winkelmann, M. Bäumer, H.-J. Freund, T. Bertrams, H. Neddermeyer, K. Müller, Structure and defects of an ordered alumina film on NiAl(110). Surf. Sci. 318, 61–73 (1994)

    ADS  Google Scholar 

  166. A. Rosenhahn, J. Schneider, C. Becker, K. Wandelt, The formation of Al2O3-layers on Ni3Al(111). Appl. Surf. Sci. 142, 169–173 (1999)

    ADS  Google Scholar 

  167. T.K. Todorova, M. Sierka, J. Sauer, S. Kaya, J. Weissenrieder, J.L. Lu, H.J. Gao, S. Shaikhutdinov, H.-J. Freund, Atomic structure of a thin silica film on a Mo(112) substrate: a combined experimental and theoretical study. Phys. Rev. B 73, 165414 (2006)

    ADS  Google Scholar 

  168. P. Torelli, E.A. Soares, G. Renaud, S. Valeri, X.X. Guo, P. Luches, Nano-structuration of CoO film by misfit dislocations. Surf. Sci. 601, 2651–2655 (2007)

    ADS  Google Scholar 

  169. C. Hagendorf, R. Shantyr, H. Neddermeyer, W. Widdra, Pressure-dependent Ni-O phase transitions and Ni oxide formation on Pt(111): an in situ STM study at elevated temperatures. Phys. Chem. Chem. Phys. 8, 1575–1583 (2006)

    Google Scholar 

  170. M. Schmid, M. Shishkin, G. Kresse, E. Napetschnig, P. Varga, M. Kulawik, N. Nilius, H.P. Rust, H.-J. Freund, Oxygen-deficient line defects in an ultrathin aluminum oxide film. Phys. Rev. Lett. 97, 046101 (2006)

    ADS  Google Scholar 

  171. M. Kulawik, N. Nilius, H.P. Rust, H.-J. Freund, Atomic structure of antiphase domain boundaries of a thin Al2O3 film on NiAl(110). Phys. Rev. Lett. 91, 256101 (2003)

    ADS  Google Scholar 

  172. R.M. Jaeger, H. Kuhlenbeck, H.-J. Freund, M. Wuttig, W. Hoffmann, R. Franchy, H. Ibach, Formation of a well-ordered aluminium-oxide overlayer by oxidation of NiAl(110). Surf. Sci. 259, 235–252 (1991)

    ADS  Google Scholar 

  173. G. Kresse, M. Schmid, E. Napetschnig, M. Shishkin, L. Köhler, P. Varga, Structure of the ultrathin aluminum oxide film on NiAl(110). Science 308, 1440–1442 (2005)

    ADS  Google Scholar 

  174. G.H. Simon, T. König, L. Heinke, L. Lichtenstein, M. Heyde, H.-J. Freund, Atomic structure of surface defects in alumina studied by dynamic force microscopy: strain-relief-, translation- and reflection-related boundaries, including their junctions. New J. Phys. 13, 123028 (2011)

    Google Scholar 

  175. N. Nilius, M. Kulawik, H.P. Rust, H.-J. Freund, Defect-induced gap states in Al2O3 thin films on NiAl(110). Phys. Rev. B 69, 121401 (2004)

    ADS  Google Scholar 

  176. A. Stashans, E. Kotomin, J.L. Calais, Calculations of the ground and excited states of F-type centers in corundum crystals. Phys. Rev. B 49, 14854–14858 (1994)

    ADS  Google Scholar 

  177. L. Heinke, L. Lichtenstein, G.H. Simon, T. König, M. Heyde, H.-J. Freund, Structure and electronic properties of step edges in the aluminum oxide film on NiAl(110). Phys. Rev. B 82, 075430 (2010)

    ADS  Google Scholar 

  178. S. Stempel, M. Bäumer, H.-J. Freund, STM studies of rhodium deposits on an ordered alumina film-resolution and tip effects. Surf. Sci. 402, 424–427 (1998)

    ADS  Google Scholar 

  179. N. Nilius, M.V. Ganduglia-Pirovano, V. Brazdova, M. Kulawik, J. Sauer, H.-J. Freund, Electronic properties and charge state of gold monomers and chains adsorbed on alumina thin films on NiAl(110). Phys. Rev. B 81, 045422 (2010)

    ADS  Google Scholar 

  180. S.C. Street, C. Xu, D.W. Goodman, The physical and chemical properties of ultrathin oxide films. Annu. Rev. Phys. Chem. 48, 43–68 (1997)

    ADS  Google Scholar 

  181. Y.D. Kim, J. Stultz, D.W. Goodman, Characterization of MgO(100) thin film growth on Mo(100). Surf. Sci. 506, 228–234 (2002)

    ADS  Google Scholar 

  182. J. Schoiswohl, W. Zheng, S. Surnev, M.G. Ramsey, G. Granozzi, S. Agnoli, F.P. Netzer, Strain relaxation and surface morphology of nickel oxide nanolayers. Surf. Sci. 600, 1099–1106 (2006)

    ADS  Google Scholar 

  183. S. Benedetti, F. Stavale, S. Valeri, C. Noguera, H.J. Freund, J. Goniakowski, N. Nilius, Steering the growth of metal Ad-particles via interface interactions between a MgO thin film and a Mo support. Adv. Funct. Mater. 23, 75–80 (2013)

    Google Scholar 

  184. H.M. Benia, P. Myrach, N. Nilius, H.-J. Freund, Structural and electronic characterization of the MgO/Mo(001) interface using STM. Surf. Sci. 604, 435–441 (2010)

    ADS  Google Scholar 

  185. M. Bäumer, D. Cappus, H. Kuhlenbeck, H.-J. Freund, G. Wilhelmi, A. Brodde, H. Neddermeyer, The structure of thin NiO(100) films grown on Ni(100) as determined by low-energy-electron-diffraction and scanning tunneling microscopy. Surf. Sci. 253, 116–128 (1991)

    ADS  Google Scholar 

  186. G. Renaud, A. Barbier, O. Robach, Growth, structure, and morphology of the Pd/MgO(001) interface: epitaxial site and interfacial distance. Phys. Rev. B 60, 5872–5882 (1999)

    ADS  Google Scholar 

  187. C. Tegenkamp, H. Pfnür, W. Ernst, U. Malaske, J. Wollschläger, D. Peterka, K.M. Schröder, V. Zielasek, M. Henzler, Defects in epitaxial insulating thin films. J. Phys.: Condens. Matter 11, 9943–9954 (1999)

    ADS  Google Scholar 

  188. J. Wollschläger, D. Erdös, H. Goldbach, R. Hopken, K.M. Schröder, Growth of NiO and MgO films on ag(100). Thin Solid Films 400, 1–8 (2001)

    ADS  Google Scholar 

  189. T. Berger, M. Sterrer, O. Diwald, E. Knözinger, The color of the MgO surface—a UV/Vis diffuse reflectance investigation of electron traps. J. Phys. Chem. B 108, 7280–7285 (2004)

    Google Scholar 

  190. K.P. McKenna, A.L. Shluger, Electron-trapping polycrystalline materials with negative electron affinity. Nat. Mater. 7, 859–862 (2008)

    ADS  Google Scholar 

  191. H.M. Benia, P. Myrach, A. Gonchar, T. Risse, N. Nilius, H.-J. Freund, Electron trapping in misfit dislocations of MgO thin films. Phys. Rev. B 81, 241415 (2010)

    ADS  Google Scholar 

  192. G. Binnig, K.H. Frank, H. Fuchs, N. Garcia, B. Reihl, H. Rohrer, F. Salvan, A.R. Williams, Tunneling spectroscopy and inverse photoemission—image and field states. Phys. Rev. Lett. 55, 991–994 (1985)

    ADS  Google Scholar 

  193. O.Y. Kolesnychenko, Y.A. Kolesnichenko, O. Shklyarevskii, H. van Kempen, Field-emission resonance measurements with mechanically controlled break junctions. Phys. B 291, 246–255 (2000)

    ADS  Google Scholar 

  194. E.D.L. Rienks, N. Nilius, H.P. Rust, H.-J. Freund, Surface potential of a polar oxide film: FeO on Pt(111). Phys. Rev. B 71, 241404 (2005)

    ADS  Google Scholar 

  195. H.M. Benia, N. Nilius, H.-J. Freund, Photon mapping of MgO thin films with an STM. Surf. Sci. 601, L55–L58 (2007)

    MATH  ADS  Google Scholar 

  196. H.M. Benia, P. Myrach, N. Nilius, Photon emission spectroscopy of thin MgO films with the STM: from a tip-mediated to an intrinsic emission characteristic. New J. Phys. 10, 013010 (2008)

    ADS  Google Scholar 

  197. K.P. McKenna, A.L. Shluger, First-principles calculations of defects near a grain boundary in MgO. Phys. Rev. B 79, 224116 (2009)

    ADS  Google Scholar 

  198. S. Benedetti, N. Nilius, P. Myrach, I. Valenti, H.-J. Freund, S. Valeri, Spontaneous oxidation of Mg atoms at defect sites in an MgO surface. J. Phys. Chem. C 115, 3684–3687 (2011)

    Google Scholar 

  199. Y. Cui, X. Shao, M. Baldofski, J. Sauer, N. Nilius, H.-J. Freund, Adsorption, activation, and dissociation of oxygen on doped oxides. Angew. Chem. Int. Ed. 52, 11385–11387 (2013)

    Google Scholar 

  200. L.M. Molina, B. Hammer, Some recent theoretical advances in the understanding of the catalytic activity of Au. Appl. Catal. A 291, 21–31 (2005)

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Physics, Carl von Ossietzky Universität, 26111, Oldenburg, Germany

    Niklas Nilius

  2. Institute of Physics, Universität Graz, Universitätsplatz 5, 8010, Graz, Austria

    Martin Sterrer

  3. Department of Chemical Physics, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany

    Markus Heyde & Hans-Joachim Freund

Authors
  1. Niklas Nilius
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Martin Sterrer
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Markus Heyde
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Hans-Joachim Freund
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding authors

Correspondence to Niklas Nilius or Martin Sterrer .

Editor information

Editors and Affiliations

  1. Paris Institute of Nanoscience, University Pierre and Marie Curie, Paris, France

    Jacques Jupille

  2. Department of Chemistry, University College London, London, United Kingdom

    Geoff Thornton

Rights and permissions

Reprints and permissions

Copyright information

© 2015 Springer International Publishing Switzerland

About this chapter

Cite this chapter

Nilius, N., Sterrer, M., Heyde, M., Freund, HJ. (2015). Atomic Scale Characterization of Defects on Oxide Surfaces. In: Jupille, J., Thornton, G. (eds) Defects at Oxide Surfaces. Springer Series in Surface Sciences, vol 58. Springer, Cham. https://doi.org/10.1007/978-3-319-14367-5_2

Download citation

Publish with us

Policies and ethics

Search

Navigation