Publications of Karsten Reuter

Journal Article (97)

Journal Article
Reuter, K.; Scheffler, M.: Oxide formation at the surface of late 4d transition metals: insights from first-principles atomistic thermodynamics. Applied Physics A 78, pp. 793 - 798 (2004)
Journal Article
Lundgren, E.; Gustafson, J.; Mikkelsen, A.; Andersen, J.N.; Stierle, A.; Dosch, H.; Todorova, M.; Rogal, J.; Reuter, K.; Scheffler, M.: Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures. Physical Review Letters 92, pp. 046101-1 - 046101-4 (2004)
Journal Article
Todorova, M.; Lundgren, E.; Blum, V.; Mikkelsen, A.; Gray, S.; Gustafson, J.; Borg, M.; Rogal, J.; Reuter, K.; Andersen, J. N. et al.; Scheffler, M.: The Pd(100)-(√5 x √5)R27º-O surface oxide revisited. Surface Science 541, pp. 101 - 112 (2003)
Journal Article
Reuter, K.; Scheffler, M.: Composition and structure of the RuO2(110) surface in an O2 and CO environment: Implications for the catalytic formation of CO2. Physical Review B 68 (4), 045407 (2003)
Journal Article
Sun, Q.; Reuter, K.; Scheffler, M.: Effect of a humid environment on the surface structure of RuO2(110). Physical Review B 67 (20), 205424 (2003)
Journal Article
Wang, J.; Fan, C. Y.; Sun, Q.; Reuter, K.; Jacobi, K.; Scheffler, M.; Ertl, G.: Surface coordination chemistry: Dihydrogen versus hydride complexes on RuO2(110). Angewandte Chemie 115 (19), pp. 2201 - 2204 (2003)
Journal Article
Wang, J.; Fan, C. Y.; Sun, Q.; Reuter, K.; Jacobi, K.; Scheffler, M.; Ertl, G.: Surface coordination chemistry: Dihydrogen versus hydride complexes on RuO2(110). Angewandte Chemie International Edition 42 (19), pp. 2151 - 2154 (2003)
Journal Article
Reuter, K.; Scheffler, M.: First-principles atomistic thermodynamics for oxidation catalysis: Surface phase diagrams and catalytically interesting regions. Physical Review Letters 90 (4), 046103 (2003)
Journal Article
Reuter, K.; Scheffler, M.: Composition, structure, and stability of RuO2(110) as a function of oxygen pressure. Physical Review B 65 (3), 035406 (2002)
Journal Article
Ganduglia-Pirovano, M. V.; Reuter, K.; Scheffler, M.: Stability of subsurface oxygen at Rh(111). Physical Review B 65 (24), 245426 (2002)
Journal Article
Reuter, K.; Ganduglia-Pirovano, M. V.; Stampfl, C.; Scheffler, M.: Metastable precursors during the oxidation of the Ru(0001) surface. Physical Review B 65 (16), 165403 (2002)
Journal Article
Reuter, K.; Stampfl, C.; Ganduglia-Pirovano, M. V.; Scheffler, M.: Atomistic description of oxide formation on metal surfaces: the example of ruthenium. Chemical Physics Letters 352 (5-6), pp. 311 - 317 (2002)
Journal Article
Stampfl, C.; Ganduglia-Pirovano, M. V.; Reuter, K.; Scheffler, M.: Catalysis and corrosion: the theoretical surface-science context. Surface Science 500 (1-3), pp. 368 - 394 (2002)
Journal Article
Todorova, M.; Li, W.; Ganduglia-Pirovano, M. V.; Stampfl, C.; Reuter, K.; Scheffler, M.: Role of sub-surface oxygen in oxide formation at transition metal surfaces. Physical Review Letters 89 (9), 096103 (2002)
Journal Article
Reuter, K.; Scheffler, M.: Surface core-level shifts at an oxygen-rich Ru surface: O/Ru(0001) vs. RuO_2(110). Surface Science 490 (1-2), pp. 20 - 28 (2001)
Journal Article
Lizzit, S.; Baraldi, A.; Groso, A.; Reuter, K.; Ganduglia-Pirovano, M. V.; Stampfl, C.; Scheffler, M.; Stichler, M.; Keller, C.; Wurth, W. et al.; Menzel, D.: Surface core level shifts of clean and oxygen covered Ru(0001). Physical Review B 63 (20), 205419 (2001)
Journal Article
de Andres, P. L.; Garcia-Vidal, F. J.; Reuter, K.; Flores, F.: Theory of ballistic electron emission microscopy. Progress in Surface Science 66 (1-2), pp. 3 - 51 (2001)

Book Chapter (5)

Book Chapter
Wengert, S.; Kunkel, C.; Margraf, J.; Reuter, K.: Accelerating molecular materials discovery with machine-learning. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 40 - 41. Max Planck Computing and Data Facility, Garching (2021)
Book Chapter
Reuter, K.: First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Concepts, status, and frontiers. In: Modeling and Simulation of Heterogeneous Catalytic Reactions: From the Molecular Process to the Technical System, pp. 71 - 111 (Ed. Deutschmann, O.). Wiley-VCH, Weinheim (2012)
Book Chapter
Reuter, K.: Nanometer and subnanometer thin oxide films at surfaces of late transition metals. In: Nanocatalysis, pp. 343 - 376 (Eds. Heiz, U.; Landman, U.). Springer, Berlin (2006)
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