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Papers
6. |
S. Köppen, W. Langel
Adsorption of small organic molecules on anatase and rutile Surfaces: A theoretical study
Physical Chemistry Chemical Physics 10, 1907-1915 (2008)
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5. |
S. Köppen, O. Bronkalla, W. Langel
Adsorption Configurations and Energies of Amino Acids on Anatase and Rutile Surfaces
Journal of Physical Chemistry C 112, 13600-13606 (2008)
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4. |
A. Dianat, N. Seriani, M. Bobeth, W. Pompe, L. Colombi Ciacchi
DFT study of the thermodynamic stability of Pd-Pt bulk oxide phases
Journal of Physical Chemistry C 112, 13623-13628 (2008)
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3. |
L. Colombi Ciacchi, D. J. Cole, M. C. Payne, P. Gumbsch
Stress-driven oxidation chemistry of wet silicon surfaces
Journal of Physical Chemistry C 112, 12077-12080 (2008) (Letter)
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2. |
J. Zimmermann, P. Pavone, G. Cuniberti
Vibrational modes and low-temperature thermal properties of graphene
and carbon nanotubes: A minimal force-constant model
Physical Review B 78, 045410 (2008)
(selected for the July 21, 2008 issue of The Virtual Journal of Nanoscale Science & Technology)
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1. |
A. Dianat, J. Zimmermann, N. Seriani, M. Bobeth, W. Pompe, L. Colombi Ciacchi
Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces
Surface Science 602, 876-884 (2008)
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Proceedings
2. |
J. Zimmermann, L. Colombi Ciacchi
Ab initio simulations of the initial oxidation of CoCr alloy surfaces
inSiDE - Innovatives Supercomputing in Deutschland 6, 14-19 (2008)
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1. |
J. Zimmermann, L. Colombi Ciacchi
DFT modelling of oxygen adsorption on CoCr surfaces
in: W. E. Nagel, D. Kröner, M. Resch, Eds., High Performance Computing in Science and Engineering '07, Springer Verlag, Berlin, pp. 173-186 (2008)
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