Publications of Karsten Reuter

Journal Article

H. Meskine, S. Matera, M. Scheffler, K. Reuter and H. Metiu: Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations. Surface Science 603 (10-12), 1724–1730 (2009).

MPG.PuRe

2008

Journal Article

Y. Zhang and K. Reuter: First-principles statistical mechanics approach to step decoration at surfaces. Chemical Physics Letters 465 (4-6), 303–306 (2008).

MPG.PuRe

Journal Article

C. Carbogno, J. Behler, A. Groß and K. Reuter: Fingerprints for spin-selection rules in the interaction dynamics of O₂ at Al(111). Physical Review Letters 101 (9), 096104 (2008).

MPG.PuRe

Full

Journal Article

J. Rogal, K. Reuter and M. Scheffler: CO oxidation on Pd(100) at technologically relevant pressure conditions: First-principles kinetic Monte Carlo study. Physical Review B 77 (15), 155410–1-155410–12 (2008).

MPG.PuRe

Journal Article

J. Behler, K. Reuter and M. Scheffler: Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface. Physical Review B 77 (11), 115421–1-115421–16 (2008).

MPG.PuRe

Journal Article

J.R. Kitchin, K. Reuter and M. Scheffler: Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study of Ag₃Pd(111) in oxygen atmospheres. Physical Review B 77 (7), 075437–1-075437–12 (2008).

MPG.PuRe

Journal Article

M. Rieger, J. Rogal and K. Reuter: Effect of surface nanostructure on temperature programmed reaction spectroscopy: First-principles kinetic Monte Carlo simulations of CO oxidation at RuO₂(110). Physical Review Letters 100 (1), 016105–1-016105–4 (2008).

MPG.PuRe

Full

Journal Article

R. Schmidt, E. McNellis, W. Freyer, D. Brete, T. Gießel, C. Gahl, K. Reuter and M. Weinelt: Azobenzene-functionalized alkanethiols in self-assembled monolayers on gold. Applied Physics A 93 (2), 267–275 (2008).

MPG.PuRe

Full

2007

Journal Article

Q.-M. Hu, K. Reuter and M. Scheffler: Erratum: Towards an exact treatment of exchange and correlation in materials: Application to the ``CO adsorption puzzle'' and other systems [Phys. Rev. Lett. 98, 176103 (2007)]. Physical Review Letters 99 (16), 169903 (2007).

MPG.PuRe

Journal Article

J. Behler, S. Lorenz and K. Reuter: Representing molecule-surface interactions with symmetry-adapted neural networks. The Journal of Chemical Physics 127 (1), 014705 (2007).

MPG.PuRe

Journal Article

Y. Zhang, V. Blum and K. Reuter: Accuracy of first-principles lateral interactions: Oxygen at Pd(100). Physical Review B 75 (23), 235406 (2007).

MPG.PuRe

Journal Article

B. Temel, H. Meskine, K. Reuter, M. Scheffler and H. Metiu: Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions? The Journal of Chemical Physics 126 (20), 204711 (2007).

MPG.PuRe

Journal Article

J. Rogal, K. Reuter and M. Scheffler: CO oxidation at Pd(100): A first-principles constrained thermodynamics study. Physical Review B 75 (20), 205433 (2007).

MPG.PuRe

Journal Article

L. Cano-Cortés, A. Dolfen, J. Merino, J. Behler, B. Delley, K. Reuter and E. Koch: Spectral broadening due to the long-range Coulomb interactions in the molecular metal TTF-TCNQ. The European Physical Journal B 56 (3), 173–176 (2007).

MPG.PuRe

Journal Article

Q.-M. Hu, K. Reuter and M. Scheffler: Towards an exact treatment of exchange and correlation in materials: Application to the "CO adsorption puzzle" and other systems. Physical Review Letters 98 (17), 176103 (2007).

MPG.PuRe

Journal Article

J. Behler, B. Delley, K. Reuter and M. Scheffler: Nonadiabatic potential-energy surfaces by constrained density-functional theory. Physical Review B 75 (11), 115409 (2007).

MPG.PuRe

Journal Article

K. Reuter and M. Scheffler: Erratum: Composition, structure, and stability of RuO₂(110) as a function of oxygen pressure [Phys. Rev. B 65, 035406 (2001)]. Physical Review B 75 (4), 049901 (2007).

MPG.PuRe

Journal Article

J. Rogal, K. Reuter and M. Scheffler: First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100). Physical Review Letters 98 (4), 046101 (2007).

MPG.PuRe

2006

Journal Article

K. Reuter: Insight into a pressure and materials gap: CO oxidation at "Ruthenium" catalysts. Oil & Gas Science and Technology 61 (4), 471–477 (2006).

MPG.PuRe