Publications of Catherine Stampfl

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

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

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

Li, W.-X.; Stampfl, C.; Scheffler, M.: 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.; Stampfl, C.; Scheffler, M.: Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations. Physical Review Letters 90 (6), 066104 (2003)

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

Li, W.-X.; Stampfl, C.; Scheffler, M.: 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.; Payne, S.H.; Stampfl, C.: Phase diagram of O/Ru(0 0 0 1) from first principles. Chemical Physics Letters 361 (3-4), pp. 317 - 320 (2002)

Fuchs, M.; Da Silva, J. L. F.; Stampfl, C.; Neugebauer, J.; Scheffler, M.: 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.; Stampfl, C.; Scheffler, M.: Oxygen adsorption on Ag(111): A density-functional theory investigation. Physical Review B 65 (7), 075407 (2002)

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

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

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

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

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

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

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

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

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