Publications of Karsten Reuter

Journal Article

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

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Journal Article

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

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2005

Journal Article

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

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Journal Article

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

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Journal Article

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

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2004

Journal Article

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

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Journal Article

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

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Journal Article

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

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Journal Article

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

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Journal Article

K. Reuter and M. Scheffler: Oxide formation at the surface of late 4d transition metals: insights from first-principles atomistic thermodynamics. Applied Physics A 78, 793–798 (2004).

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Journal Article

E. Lundgren, J. Gustafson, A. Mikkelsen, J.N. Andersen, A. Stierle, H. Dosch, M. Todorova, J. Rogal, K. Reuter and M. Scheffler: Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures. Physical Review Letters 92, 046101–1-046101–4 (2004).

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2003

Journal Article

M. Todorova, E. Lundgren, V. Blum, A. Mikkelsen, S. Gray, J. Gustafson, M. Borg, J. Rogal, K. Reuter, J.N. Andersen and M. Scheffler: The Pd(100)-(√5 x √5)R27º-O surface oxide revisited. Surface Science 541, 101–112 (2003).

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Journal Article

K. Reuter and M. Scheffler: 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).

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Journal Article

Q. Sun, K. Reuter and M. Scheffler: Effect of a humid environment on the surface structure of RuO₂(110). Physical Review B 67 (20), 205424 (2003).

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Journal Article

J. Wang, C.Y. Fan, Q. Sun, K. Reuter, K. Jacobi, M. Scheffler and G. Ertl: Surface coordination chemistry: Dihydrogen versus hydride complexes on RuO₂(110). Angewandte Chemie 115 (19), 2201–2204 (2003).

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Journal Article

J. Wang, C.Y. Fan, Q. Sun, K. Reuter, K. Jacobi, M. Scheffler and G. Ertl: Surface coordination chemistry: Dihydrogen versus hydride complexes on RuO₂(110). Angewandte Chemie International Edition 42 (19), 2151–2154 (2003).

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Journal Article

K. Reuter and M. Scheffler: First-principles atomistic thermodynamics for oxidation catalysis: Surface phase diagrams and catalytically interesting regions. Physical Review Letters 90 (4), 046103 (2003).

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2002

Journal Article

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

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Journal Article

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

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