2007

326.
T. Jacob, W. Chen, T. E. Madey, P. Kaghazchi, H. Wang and A. S. Y. Chan, "Facet Stability in Oxygen-Induced Nano-Faceting of Re(1231)", ACS Nano, vol. 1(5), pp. 449-455, 2007.
DOI:10.1021/nn700238r
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ACS_Nano_1_449_2007.pdf
325.
T. Jacob and P. Kaghazchi, "First Principle Studies on Clean and Oxygen-adsorbed Ir(110) Surfaces", Phys. Rev, vol. 76, pp. 245425, 2007.
DOI:10.1103/PhysRevB.76.245425
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_76_245425_2007.pdf
324.
W. Vogel, P. Kaghazchi, N. Alonso-Vante and T. Jacob, "Genesis of Ru x Se y Nanoparticles by Pyrolysis of Ru4</sub>Se2(CO11A combined X-Ray in situ and DFT Study", J. Phys. Chem. C, vol. 111(10, pp. 3908-3913, 2007.
DOI:10.1021/jp066091p
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/JPhysChemC_111_3908_2007.pdf
323.
T. Jacob, M. Blanco and W. A. Goddard, "Linking Molecular Switches to Platinum Electrodes Studied with DFT", The Journal of Physical Chemistry C, vol. 111, no. 6, pp. 2749—2758, Jan. 2007. American Chemical Society (ACS).
DOI:10.1021/jp0632844
Datei:https://doi.org/10.1021%2Fjp0632844
322.
D. M. Kolb, M. Petri and C. E. Täubert, "On a new phase transition in the Cu/ Au(111)/ H2SO4 system", Z. Phys. Chem., vol. 221, pp. 1493-1498, 2007.
321.
T. Jacob, "Potential-induced lifting of the Au(100)-surface reconstruction studied with DFT", Electrochimica Acta, vol. 52, no. 6, pp. 2229—2235, Jan. 2007. Elsevier BV.
DOI:10.1016/j.electacta.2006.03.114
Datei:https://doi.org/10.1016%2Fj.electacta.2006.03.114
320.
D. M. Kolb, Y. Dai, U. Ziener, C. E. Täubert, C. Meier and K. Landfester, "Potential-induced structure changes of oligopyridine adlayers on Au(111) electrodes", Langmuir, vol. 23, pp. 11059-11062, 2007.
319.
T. Jacob, F. C. Simeone, D. M. Kolb and S. Venkatachalam, "The Au(111) electrolyte interface: A tunnel spectroscopic and DFT investigation", Angew. Chem. Int. Ed., vol. 46, pp. 8903-8906, 2007.
DOI:10.1002/anie.200702868
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChemIntEd_46_8903_2007.pdf
318.
T. Jacob, F. C. Simeone, D. M. Kolb and S. Venkatachalam, "The Au(111)/electrolyte interface: A tunnel spectroscopic and DFT investigation", Angew. Chem. Int. Ed., vol. 46, pp. 9061-9064, 2007.
317.
D. M. Kolb, J. Zegenhagen, F. U. Renner, A. Stierle and H. Dosch, "The influence of chloride on the initial anodic dissolution of Cu3Au(111)", Electrochem. Comm, vol. 9, pp. 1639-1642, 2007.
316.
K. Pötting, T. Jacob and W. Schmickler, "Theoretical Investigation of the Self-Diffusion on Au(100)" in High Performance Computing in Science and Engineering '06, Springer Berlin Heidelberg, 2007, pp. 171—185.
DOI:10.1007/978-3-540-36183-1_13
Datei:https://doi.org/10.1007%2F978-3-540-36183-1_13
315.
D. M. Kolb, L. A. Kibler and T. Pajkossy, "Voltammetry and impedance measurements of Ir(100) electrodes in aqueous solutions ", J. Electroanal. Chem., vol. 600, pp. 113-118, 2007.

2006

314.
T. Jacob, "The Mechanism of Forming H2O from H2 and O2 over a Pt Catalyst via Direct Oxygen Reduction", Fuel Cells, vol. 6, no. 3-4, pp. 159—181, Aug. 2006. Wiley.
DOI:10.1002/fuce.200500201
Datei:https://doi.org/10.1002%2Ffuce.200500201
313.
T. Jacob and W. A. Goddard, "Water Formation on Pt and Pt-based Alloys: A Theoretical Description of a Catalytic Reaction", ChemPhysChem, vol. 7, no. 5, pp. 992—1005, Mai 2006. Wiley.
DOI:10.1002/cphc.200500613
Datei:https://doi.org/10.1002%2Fcphc.200500613
312.
W. Goddard, B. Merinov, A. Duin, T. Jacob, M. Blanco, V. Molinero, S. S. Jang and Y. H. Jang, "Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes", Molecular Simulation, vol. 32, no. 3-4, pp. 251—268, Mä. 2006. Informa UK Limited.
DOI:10.1080/08927020600599709
Datei:https://doi.org/10.1080%2F08927020600599709
311.
W. Chen, I. Ermanoski, T. Jacob and T. E. Madey, "Structure Sensitivity in the Oxidation of CO on Ir Surfaces", Langmuir, vol. 22, no. 7, pp. 3166—3173, Feb. 2006. American Chemical Society (ACS).
DOI:10.1021/la053183h
Datei:https://doi.org/10.1021%2Fla053183h
310.
M. J. Buehler, A. C. T. van Duin, T. Jacob, Y. Jang, B. V. Merinov and W. A. Goddard III., "Formation of water at a Pt(111) surface: A study using reactive force field (ReaxFF)", Mat. Res. Soc. Proceedings, vol. 900E, pp. O3.9, 2006.
DOI:10.1557/PROC-0900-O03-09
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/MatResSocProc_900E_O3_9_2006.pdf
309.
D. M. Kolb, L. A. Kibler, A. M. El-Aziz, J. Greeley and J. K. Nørskov, "Hydrogen evolution over bimetallic systems: Understanding the trends", ChemPhysChem, vol. 7, pp. 1032-1035, 2006.
308.
D. M. Kolb, J. Zegenhagen, F. U. Renner, T. L. Lee, A. Stierle and H. Dosch, "Initial corrosion observed on the atomic scale", Nature, vol. 439, pp. 707-710, 2006.
307.
"Local density of states effects at the metal-molecule interfaces in a molecular device", Nature Materials, vol. 5, pp. 394-399, 2006.
306.
M. Manolova, M. Kayser, D. M. Kolb, H. -. Boyen, P. Ziemann, D. Mayer and A. Wirth, "Rhodium deposition onto a 4-mercaptopyridine SAM on Au(111)", Electrochim. Acta, vol. 52, pp. 2740-2745, 2006.
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Rhodium_deposition_onto_a_4-mercaptopyridine_SAM_on_Au_1_1_1__.pdf
305.
D. M. Kolb, L. A. Kibler, A. M. El-Aziz and R. Hoyer, "The potential of zero free charge of Pd overlayers on Pt(111)", Electrochim. Acta, vol. 51, pp. 2518-2522, 2006.
304.
T. Jacob, W. Schmickler and K. Pötting, "Theoretical Investigation on the Self-Diffusion on Au(100) " in High Performance Computing in Science and Engineering 2006, Heidelberg, Germany: Springer-Verlag GmBH, 2006.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/B1_High_Perf_Comp_in_Sci_and_Eng_2006.pdf

2005

303.
D. M. Kolb, J. Zegenhagen, A. Reitzle, F. U. Renner and T. L. Lee, "Electrochemical growth of copper on well-defined n-Si(111): H surfaces", Surface Sci., vol. 576, pp. 19-28, 2005.
302.
F. C. Simeone and D. M. Kolb, "Electrochemical nanostructuring with an STM: A status report", Electrochim. Acta, vol. 50, pp. 2989-2996, 2005.