Publications of Catherine Stampfl

Journal Article (47)

1.
Journal Article
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).
2.
Journal Article
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).
3.
Journal Article
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).
4.
Journal Article
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).
5.
Journal Article
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).
6.
Journal Article
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).
7.
Journal Article
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).
8.
Journal Article
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).
9.
Journal Article
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).
10.
Journal Article
Li, W., C. Stampfl and M. Scheffler: Oxygen adsorption on Ag(111): A density-functional theory investigation. Physical Review B 65 (7), 075407 (2002).
11.
Journal Article
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).
12.
Journal Article
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).
13.
Journal Article
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).
14.
Journal Article
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).
15.
Journal Article
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).
16.
Journal Article
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).
17.
Journal Article
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).
18.
Journal Article
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).
19.
Journal Article
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).
20.
Journal Article
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).
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