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Papers
29. |
G. Tomba, M. Stengel, W.-D. Schneider, A. Baldereschi, A. De Vita
Supramolecular self assembly driven by electrostatic repulsion: the 1D aggregation of rubrene pentagons on Au(111)
ACS Nano 4, 7545-7551 (2010)
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28. |
S. Köppen, W. Langel
Simulation of adhesion forces and energies of peptides on titanium dioxide surfaces
Langmuir 26, 15248-15256 (2010)
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27. |
G. Moras, L. Colombi Ciacchi, C. Elsässer, P. Gumbsch, A. De Vita
Atomically smooth stress-corrosion cleavage of a hydrogen-implanted crystal
Physical Review Letters 105, 075502 (2010)
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Featured in Physical Review Focus (Vol. 26, 13 August 2010)
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26. |
J. Zimmermann, L. Colombi Ciacchi
Origin of the selective Cr oxidation in CoCr alloy surfaces
Journal of Physical Chemistry Letters 1, 2343-2348 (2010)
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25. |
J. Schneider, L. Colombi Ciacchi
First principles and classical modeling of the oxidized titanium (0001) surface
Surface Science 604, 1105-1115 (2010)
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24. |
J. Zimmermann, L. Colombi Ciacchi
Mechanisms of initial oxidation of the Co(0001) and Cr(110) surfaces
Journal of Physical Chemistry C 114, 6614-6623 (2010)
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23. |
A. Dianat, N. Seriani, L. Colombi Ciacchi, W. Pompe, G. Cuniberti, M. Bobeth
Dissociative adsorption of methane on surface oxide structures of Pd-Pt alloys
Journal of Physical Chemistry C 113, 21097-21105 (2009)
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22. |
D. J. Cole, M. C. Payne, L. Colombi Ciacchi
Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces
Physical Chemistry Chemical Physics 11, 11395-11399 (2009) (Communication)
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21. |
M. O. Steinhauser, J. Schneider, A. Blumen
Simulating dynamic crossover behavior of semiflexible linear polymers in solution and in the melt
Journal of Chemical Physics 130, 164902 (2009)
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20. |
J. Zimmermann, M. W. Finnis, L. Colombi Ciacchi
Vacancy segregation in the initial oxidation stages of the TiN(100) surface
Journal of Chemical Physics 130, 134714 (2009)
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19. |
D. V. Kubair, D. J. Cole, L. Colombi Ciacchi, S. M. Spearing
Multiscale mechanics modeling of direct silicon wafer bonding
Scripta Materialia 60, 1125-1128 (2009)
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18. |
B. J. Russell, M. C. Payne, L. Colombi Ciacchi
Density Functional Theory study of Fe(II) adsorption and oxidation on Goethite surfaces
Physical Review B 79, 165101 (2009)
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17. |
G. Tomba, L. Colombi Ciacchi, A. De Vita
Atomic-level studies of molecular self-assembly on metallic surfaces
Advanced Materials 21, 1055-1066 (2009) (Progress Report)
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16. |
S. Piscanec, F. Zuliani, L. Colombi Ciacchi, G. Levita, O. Sbaizero, A. De Vita
DFT modelling of ceramic materials and interfaces
International Journal of Materials and Product Technology 35, 271-292 (2009)
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15. |
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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14. |
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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13. |
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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12. |
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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11. |
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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10. |
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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9. |
S. Köppen, B. Ohler, W. Langel
Adsorption of Collagen Fragments on Titanium Oxide Surfaces: A Molecular Dynamics Study
Z. Phys. Chem. 221, 3-20 (2007)
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8. |
G. Tomba, M. Lingenfelder, G. Costantini, K. Kern, F. Klappenberger, J. V. Barth, L. Colombi Ciacchi, A. De Vita
Structure and energetics of diphenylalanine self-assembling on Cu(110)
Journal of Physical Chemistry A 111, 12740-12748 (2007)
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7. |
D. J. Cole, G. Csányi, M. C. Payne, S. M. Spearing, L. Colombi Ciacchi
Development of a classical force field for the oxidised Si surface: Application to hydrophilic wafer bonding
Journal of Chemical Physics 127, 204704 (2007)
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6. |
G. Moras, L. Colombi Ciacchi, G. Csányi, A. De Vita
Modelling (100) hydrogen-induced platelets in silicon with a multi-scale molecular dynamics approach
Physica B 401-402, 16-20 (2007)
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5. |
M. Koleini, M. Paulsson, M. Brandbyge
Efficient organometallic spin filter between single-wall carbon naonotube or graphene electrodes
Physical Review Letters 98, 197202 (2007)
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4. |
N. Seriani, Z. Jin, W. Pompe, L. Colombi Ciacchi
A DFT study of platinum oxides: from infinite crystals to nanoscopic particles
Physical Review B 76, 155421 (2007)
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3. |
D. J. Cole, M. C. Payne, L. Colombi Ciacchi
Stress development and impurity segregation during oxidation of the Si(100) surface
Surface Science 601, 4888-4898 (2007)
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2. |
L. Colombi Ciacchi Modelling the onset of oxide formation on metal surfaces from first principles
International Journal of Materials Research 98, 708-716 (2007)
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1. |
M. Lingenfelder, G. Tomba, G. Costantini, L. Colombi Ciacchi, A. De Vita, K. Kern
Tracking the Chiral Recognition of Adsorbed Dipeptides at the Single-Molecule Level
Angewandte Chemie 119, 4576-4579 (2007)
Angewandte Chemie International Edition 46, 4492-4495 (2007)
(Front Cover)
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Proceedings and other articles
3. |
J. Zimmermann
Atome auf dem Basar
Bild der Wissenschaft Plus, November 2010, pp. 16-19
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Awarded with the KlarText! Prize of the Klaus Tschira Foundation (2010)
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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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