Publications of Jutta Rogal

Journal Article

Rogal, Jutta: Catalytic oxidation at surfaces: insight from first-principles statistical mechanics.

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Journal Article

Rogal, Jutta, Karsten Reuter and Matthias Scheffler: CO oxidation on Pd(100) at technologically relevant pressure conditions: First-principles kinetic Monte Carlo study.

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2007

Journal Article

Rogal, Jutta, Karsten Reuter and Matthias Scheffler: CO oxidation at Pd(100): A first-principles constrained thermodynamics study.

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Journal Article

Rogal, Jutta, Karsten Reuter and Matthias Scheffler: First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100).

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2006

Journal Article

Kiejna, Adam, Georg Kresse, Jutta Rogal, Abir De Sarkar, Karsten Reuter and Matthias Scheffler: Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces.

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Journal Article

Zhang, Yongsheng, Jutta Rogal and Karsten Reuter: Density-functional theory investigation of oxygen adsorption at Pd(11N) vicinal surfaces (N=3,5,7): Influence of neighboring steps.

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2004

Journal Article

Lundgren, E., J. Gustafson, A. Mikkelsen, J.N. Andersen, A. Stierle, H. Dosch, Mira Todorova, Jutta Rogal, Karsten Reuter and Matthias Scheffler: Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures.

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Journal Article

Rogal, Jutta, Karsten Reuter and Matthias Scheffler: Thermodynamic stability of PdO surfaces.

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2003

Journal Article

Todorova, Mira, E. Lundgren, Volker Blum, A. Mikkelsen, S. Gray, J. Gustafson, M. Borg, Jutta Rogal, Karsten Reuter, J.N. Andersen and Matthias Scheffler: The Pd(100)-(√5 x √5)R27º-O surface oxide revisited.

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Conference Paper (1)

2007

Conference Paper

Rogal, Jutta and Karsten Reuter: Ab initio atomistic thermodynamics for surfaces: A primer.

(VT-142 RTO AVT/VKI Lecture Series, von Karman Institute, Rhode St. Genèse, Belgium, Feb 2006).

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Thesis - PhD (2)

2022

Thesis - PhD

Türk, Hanna: Active Site Generation and Deactivation of the Air Electrode in High Temperature Solid Oxide Cells.

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2006

Thesis - PhD

Rogal, Jutta: Stability, composition and function of palladium surfaces in oxidizing environments: A first-principles statistical mechanics approach.

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Thesis - Diploma (1)

2002

Thesis - Diploma

Rogal, Jutta: Elektronenstruktur und Stabilität von Pd und PdO (Dichtefunktionaltheorierechnungen).

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