Publications of Catherine Stampfl

Da Silva, J.L.F., C. Stampfl and M. Scheffler: Converged properties of clean metal surfaces by all-electron first-principles calculations. Surface science 600 (3), 703–715 (2006).

Borg, M., C. Stampfl, A. Mikkelsen, J. Gustafson, E. Lundgren, M. Scheffler and J.N. Andersen: Density of configurational states from first-principles calculations: The phase diagram of Al-Na surface alloys. ChemPhysChem 6 (9), 1923–1928 (2005).

Da Silva, J.L.F., C. Stampfl and M. Scheffler: Xe adsorption on metal surfaces: First-principles investigations. Physical Review B 72 (7), 075424 (2005).

Li, W.-X., C. Stampfl and M. Scheffler: Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst. Physical Review Letters 90 (25), 256102 (2003).

Da Silva, J.L.F., C. Stampfl and M. Scheffler: Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations. Physical Review Letters 90 (6), 066104 (2003).

Li, W., C. Stampfl and M. Scheffler: Subsurface oxygen and surface oxide formation at Ag(111): A density-functional theory investigation. Physical Review B 67 (4), 045408 (2003).

Li, W.-X., C. Stampfl and M. Scheffler: Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics. Physical Review B 68 (16), 165412 (2003).

McEwen, J.-S., S.H. Payne and C. Stampfl: Phase diagram of O/Ru(0 0 0 1) from first principles. Chemical Physics Letters 361 (3-4), 317–320 (2002).

Fuchs, M., J.L.F. Da Silva, C. Stampfl, J. Neugebauer and M. Scheffler: Cohesive properties of group-III nitrides: A comparative study of all-electron and pseudopotential calculations using the generalized gradient approximation. Physical Review B 65 (24), 245212 (2002).

Li, W., C. Stampfl and M. Scheffler: Oxygen adsorption on Ag(111): A density-functional theory investigation. Physical Review B 65 (7), 075407 (2002).

Reuter, K., M.V. Ganduglia-Pirovano, C. Stampfl and M. Scheffler: Metastable precursors during the oxidation of the Ru(0001) surface. Physical Review B 65 (16), 165403 (2002).

Reuter, K., C. Stampfl, M.V. Ganduglia-Pirovano and M. Scheffler: Atomistic description of oxide formation on metal surfaces: the example of ruthenium. Chemical Physics Letters 352 (5-6), 311–317 (2002).

Stampfl, C., M.V. Ganduglia-Pirovano, K. Reuter and M. Scheffler: Catalysis and corrosion: the theoretical surface-science context. Surface Science 500 (1-3), 368–394 (2002).

Stampfl, C. and M. Scheffler: Energy barriers and chemical properties in the coadsorption of carbon monoxide and oxygen on Ru(0001). Physical Review B 65 (15), 155417 (2002).

Todorova, M., W. Li, M.V. Ganduglia-Pirovano, C. Stampfl, K. Reuter and M. Scheffler: Role of sub-surface oxygen in oxide formation at transition metal surfaces. Physical Review Letters 89 (9), 096103 (2002).

Barman, S.R., C. Stampfl, P. Häberle, W. Ibanez, Y.Q. Cai and K. Horn: Collective excitations in alkali metals on Al(111). Physical Review B 64 (19), 195410 (2001).

Lizzit, S., A. Baraldi, A. Groso, K. Reuter, M.V. Ganduglia-Pirovano, C. Stampfl, M. Scheffler, M. Stichler, C. Keller, W. Wurth and D. Menzel: Surface core level shifts of clean and oxygen covered Ru(0001). Physical Review B 63 (20), 205419 (2001).

Barman, S.R., C. Stampfl, P. Häberle and K. Horn: Photon-excited collective modes in a surface alloy. Physical Review B 61 (19), 12721–12724 (2000).

Stampfl, C., H.J. Kreuzer, S.H. Payne and M. Scheffler: Challenges in predictive calculations of processes at surfaces: surface thermodynamics and catalytic reactions. Applied Physics A 69 (5), 471–480 (1999).

Van de Walle, C.G., J. Neugebauer, C. Stampfl, M.D. McCluskey and N.M. Johnson: Defects and Defect Reactions in Semiconductor Nitrides. Acta Physica Polonica A 96 (5), 613–627 (1999).