Publications of Jutta Rogal

Journal Article (10)

2008
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).
Journal Article
J. Rogal: Catalytic oxidation at surfaces: insight from first-principles statistical mechanics. Journal of Physics: Condensed Matter 20 (6), 064240–064240 (2008).
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).
2007
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).
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).
2006
Journal Article
Y. Zhang, J. Rogal and K. Reuter: Density-functional theory investigation of oxygen adsorption at Pd(11N) vicinal surfaces (N=3,5,7): Influence of neighboring steps. Physical Review B 74 (12), 125414 (2006).
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).
2004
Journal Article
J. Rogal, K. Reuter and M. Scheffler: Thermodynamic stability of PdO surfaces. Physical Review B 69 (7), 075421 (2004).
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).
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).

Conference Paper (1)

2007
Conference Paper
J. Rogal and K. Reuter: Ab initio atomistic thermodynamics for surfaces: A primer. In: Experiment, Modeling and Simulation of Gas-Surface Interactions for Reactive Flows in Hypersonic Flights. NATO Research and Technology Organisation, Neuilly-sur-Seine, 2–1-2–18 (2007).

Thesis - PhD (1)

2006
Thesis - PhD
J. Rogal: Stability, composition and function of palladium surfaces in oxidizing environments: A first-principles statistical mechanics approach. Freie Universität Berlin

Thesis - Diploma (1)

2002
Thesis - Diploma
J. Rogal: Elektronenstruktur und Stabilität von Pd und PdO (Dichtefunktionaltheorierechnungen). Freie Universität Berlin Berlin
Go to Editor View