Publications of Catherine Stampfl

Journal Article (47)

2006
Journal Article
J.L.F. Da Silva, C. Stampfl and M. Scheffler: Converged properties of clean metal surfaces by all-electron first-principles calculations. Surface science 600 (3), 703–715 (2006).
2005
Journal Article
M. Borg, 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).
Journal Article
J.L.F. Da Silva, C. Stampfl and M. Scheffler: Xe adsorption on metal surfaces: First-principles investigations. Physical Review B 72 (7), 075424 (2005).
2003
Journal Article
W.-X. Li, 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).
Journal Article
J.L.F. Da Silva, 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).
Journal Article
W. Li, 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).
Journal Article
W.-X. Li, 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).
2002
Journal Article
J.-S. McEwen, 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).
Journal Article
M. Fuchs, 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).
Journal Article
W. Li, C. Stampfl and M. Scheffler: Oxygen adsorption on Ag(111): A density-functional theory investigation. Physical Review B 65 (7), 075407 (2002).
Journal Article
K. Reuter, 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).
Journal Article
K. Reuter, 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).
Journal Article
C. Stampfl, 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).
Journal Article
C. Stampfl 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).
Journal Article
M. Todorova, 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).
2001
Journal Article
S.R. Barman, 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).
Journal Article
S. Lizzit, 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).
2000
Journal Article
S.R. Barman, C. Stampfl, P. Häberle and K. Horn: Photon-excited collective modes in a surface alloy. Physical Review B 61 (19), 12721–12724 (2000).
1999
Journal Article
C. Stampfl, 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).
Journal Article
C.G. Van de Walle, 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).
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