Publications of Karsten Reuter

Schnadt, J.; Michaelides, A.; Knudsen, J.; Vang, R. T.; Reuter, K.; Lægsgaard, E.; Scheffler, M.; Besenbacher, F.: Revisiting the structure of the p(4 x 4) surface oxide on Ag(111). Physical Review Letters 96 (14), 146101 (2006)

Reuter, K.; Scheffler, M.: First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO₂(110). Physical Review B 73 (4), 045433 (2006)

Kiejna, A.; Kresse, G.; Rogal, J.; De Sarkar, A.; Reuter, K.; Scheffler, M.: Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces. Physical Review B 73 (3), 035404 (2006)

Michaelides, A.; Reuter, K.; Scheffler, M.: When seeing is not believing: Oxygen on Ag(111), a simple adsorption system? The Journal of Vacuum Science and Technology A 23 (6), pp. 1487 - 1497 (2005)

Todorova, M.; Reuter, K.; Scheffler, M.: Density-functional theory study of the initial oxygen incorporation in Pd(111). Physical Review B 71 (19), 195403 (2005)

Behler, J.; Delley, B.; Lorenz, S.; Reuter, K.; Scheffler, M.: Dissociation of O₂ at Al(111): The role of spin selection rules. Physical Review Letters 94 (3), 036104 (2005)

Sun, Q.; Reuter, K.; Scheffler, M.: Hydrogen adsorption at RuO₂(110): Density-functional calculations. Physical Review B 70, pp. 235402-1 - 235402-12 (2004)

Reuter, K.; Frenkel, D.; Scheffler, M.: The steady state of heterogeneous catalysis, studied by first-principles statistical mechanics. Physical Review Letters 93, pp. 116105-1 - 116105-4 (2004)

Todorova, M.; Reuter, K.; Scheffler, M.: Oxygen overlayers on Pd(111) studied by density functional theory. The Journal of Physical Chemistry B 108 (38), pp. 14477 - 14483 (2004)

Rogal, J.; Reuter, K.; Scheffler, M.: Thermodynamic stability of PdO surfaces. Physical Review B 69 (7), 075421 (2004)

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)

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)

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)

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)

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)

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)

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)

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)

Reuter, K.; Scheffler, M.: Composition, structure, and stability of RuO₂(110) as a function of oxygen pressure. Physical Review B 65 (3), 035406 (2002)

Ganduglia-Pirovano, M. V.; Reuter, K.; Scheffler, M.: Stability of subsurface oxygen at Rh(111). Physical Review B 65 (24), 245426 (2002)