Publications of Jutta Rogal

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

Rogal, J.: Catalytic oxidation at surfaces: insight from first-principles statistical mechanics. Journal of Physics: Condensed Matter 20 (6), p. 064240 - 064240 (2008)

Rieger, M.; Rogal, J.; Reuter, K.: 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), pp. 016105-1 - 016105-4 (2008)

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

Rogal, J.; Reuter, K.; Scheffler, M.: 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)

Zhang, Y.; Rogal, J.; Reuter, K.: 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)

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)

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

Rogal, J.; Reuter, K.: Ab initio atomistic thermodynamics for surfaces: A primer. In: Experiment, Modeling and Simulation of Gas-Surface Interactions for Reactive Flows in Hypersonic Flights, pp. 2-1 - 2-18. VT-142 RTO AVT/VKI Lecture Series, von Karman Institute, Rhode St. Genèse, Belgium, February 06, 2006 - February 10, 2006. NATO Research and Technology Organisation, Neuilly-sur-Seine (2007)

Türk, H.: Active Site Generation and Deactivation of the Air Electrode in High Temperature Solid Oxide Cells. Dissertation, Technische Universität, München (2022)

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

Rogal, J.: Elektronenstruktur und Stabilität von Pd und PdO (Dichtefunktionaltheorierechnungen). Diploma, Freie Universität Berlin, Berlin (2002)