Piccinin, S., S. Zafeiratos, C. Stampfl, T. W. Hansen, M. Hävecker, D. Teschner, V. I. Bukhtiyarov, F. Girgsdies, A. Knop-Gericke, R. Schlögl and M. Scheffler: Alloy catalyst in a reactive environment: The example of Ag-Cu particles for ethylene epoxidation. In: Physical Review Letters 104, 3, 035503-1-035503-4 (2010).
url: http://dx.doi.org/10.1103/PhysRevLett.104.035503
Piccinin, S., N. L. Nguyen, C. Stampfl and M. Scheffler: First-principles study of the mechanism of ethylene epoxidation over Ag–Cu particles. In: Journal of Materials Chemistry 20, 46, 10521-10527 (2010).
url: http://dx.doi.org/10.1039/C0JM01916J
Soon, A., X.-Y. Cui, B. Delley, S.-H. Wei and C. Stampfl: Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu2-δO. In: Physical Review B 79, 3, 035205-1-035205-15 (2009).
url: http://dx.doi.org/10.1103/PhysRevB.79.035205
Piccinin, S., C. Stampfl and M. Scheffler: Ag-Cu alloy surfaces in an oxidizing environment: A first-principles study. In: Surface Science 603, 10-12, 1467-1475 (2009).
url: http://www.fhi-berlin.mpg.de/th/th.html
url: http://dx.doi.org/10.1016/j.susc.2008.10.050
Piccinin, S., C. Stampfl and M. Scheffler: First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment. In: Physical Review B 77, 7, 075426-1-075426-9 (2008).
url: http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRBMDO000077000007075426000001&idtype=cvips&prog=normal
doi: http://dx.doi.org/10.1103/PhysRevB.77.075426
Da Silva, J. L. F. and C. Stampfl: Trends in adsorption of noble gases He, Ne, Ar, Kr, and Xe on Pd(111)(√3 x √3)R30o: All-electron density-functional calculations. In: Physical Review B 77, 4, 045401-1-045401-13 (2008).
url: http://dx.doi.org/10.1103/PhysRevB.77.045401
Stampfl, C.: Surface Processes and Phase Transitions from Ab Initio Atomistic Thermodynamics and Statistical Mechanics. Habilitation, Technisch Universität Berlin, Berlin (2006).
Da Silva, J. L. F., C. Stampfl and M. Scheffler: Converged properties of clean metal surfaces by all-electron first-principles calculations. In: Surface Science 600, 3, 703-715 (2006).
url: http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TVX-4HX46NN-1-1J&_cdi=5546&_user=28741&_orig=browse&_coverDate=02%2F01%2F2006&_sk=993999996&view=c&wchp=dGLbVzb-zSkWz&md5=34229d93215298a6301274bcaaf19d2d&ie=/sdarticle.pdf
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. In: ChemPhysChem 6, 9, 1923-1928 (2005).
url: http://www.fhi-berlin.mpg.de/th/th.html
url: http://www3.interscience.wiley.com/cgi-bin/fulltext/110577398/PDFSTART
Da Silva, J. L. F., C. Stampfl and M. Scheffler: Xe adsorption on metal surfaces: First-principles investigations. In: Physical Review B 72, 075424-1-075424-19 (2005).
url: http://www.fhi-berlin.mpg.de/th/th.html
url: http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRBMDO000072000007075424000001&idtype=cvips&gifs=yes
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