Publikationen - Artikel


288.
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Kolb, D. M.; Venkatachalam, S.; Jacob, T. und Simeone, F. C.
The Au(111) electrolyte interface: A tunnel spectroscopic and DFT investigation
Angew. Chem. Int. Ed., 46:8903-8906
2007
287.
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Venkatachalam, S. und Jacob, T.
DFT studies on the nature of coadsorbates on SO42-/Au(111) studied with DFT
Z. Phys. Chem., 221:1393-1406
2007
286.
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Piskunov, S.; Spohr, E.; Jacob, T.; Kotomin, E.A. und Ellis, D.E.
Electronic and magnetic structure of La0.875Sr0.125MnO3 calculated by means of hybrid density functional theory
Phys. Rev. B, 76:012410
2007
285.
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Jacob, T.
Theoretical Investigations Potential-Induced Formation of Pt-Oxide Surfaces
J. Electroanal. Chem., 607:158-166
2007
284.
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Jacob, T.; Blanco, M. und Goddard III., W.A.
Linking Molecular Switches to Pt-Electrodes studied with DFT
J. Phys. Chem. C, 111(6):2749-2758
2007
283.
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Vogel, W.; Kaghazchi, P.; Alonso-Vante, N. und Jacob, T.
Genesis of RuxSey Nanoparticles by Pyrolysis of Ru4Se2(CO)11 An X-Ray in situ and DFT Study
J. Phys. Chem. C, 111(10:3908-3913
2007
282.
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Jacob, T.
Potential-Induced Lifting of the Au(100)-Surface Reconstruction studied with DFT
Electrochim. Acta,, 52(6):2229-2235
2007
281.
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Greeley, J.; Nørskov, J.K.; Kibler, L.A.; El-Aziz, A.M. und Kolb, D. M.
Hydrogen evolution over bimetallic systems: Understanding the trends
ChemPhysChem, 7:1032-1035
2006
280.
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Local density of states effects at the metal-molecule interfaces in a molecular device
Nature Materials, 5:394-399
2006
279.
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Renner, F.U.; Stierle, A.; Dosch, H.; Kolb, D. M.; Lee, T.L. und Zegenhagen, J.
Initial corrosion observed on the atomic scale
Nature, 439:707-710
2006
278.
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El-Aziz, A.M.; Hoyer, R.; Kibler, L.A. und Kolb, D. M.
The potential of zero free charge of Pd overlayers on Pt(111)
Electrochim. Acta, 51:2518-2522
2006
277.
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Jacob, T. und Goddard III., W.A.
Water Formation on Pt and Pt-based Alloys: A Theoretical Description of a Catalytic Reaction
Chem. Phys. Chem., 7, :992-1005
2006
276.
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Goddard III., W.A.; Merinov, B.V.; van Duin, A.C.T.; Jacob, T.; Blanco, M.; Molinero, V.; Jang, S.S. und Jang, Y.H.
Multi-Paradigm Multi-Scale Simulations for Fuel Cell Catalysts and Membranes
Molecular Simulation, 32(3-4):251-268
2006
275.
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Buehler, M.J.; van Duin, A.C.T.; Jacob, T.; Jang, Y.; Merinov, B.V. und Goddard III., W.A.
Formation of water at a Pt(111) surface: A study using reactive force field (ReaxFF)
Mat. Res. Soc. Proceedings, 900E:O3.9
2006
274.
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Chen, W.; Ermanoski, I.; Madey, T.E. und Jacob, T.
Structure Sensitivity in Oxidation of Co on Ir surfaces
Langmuir, 22:3166-3173
2006
273.
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Jacob, T.
The Mechanism of Forming H2O from H2 and O2 over a Pt Catalyst via Direct Oxygen Reduction
Fuel Cells, 6(3-4):159-181
2006
272.
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Simeone, F. C. und Kolb, D. M.
Nanostructure formation at the solid/liquid interface
Current Opinion in Sol. State & Mat.Sci., 9:91-97
2005
271.
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Manolova, M.; Ivanova, V.; Kolb, D. M.; Boyen, H.-G.; Ziemann, P.; Büttner, M.; Romanyuk, A. und Oelhafen, P.
Metal deposition onto thiol-covered gold: Platinum on a 4-mercaptopyridine SAM
Surface Sci., 590:146-153
2005
270.
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Tang, J.; Petri, M.; Kibler, L.A. und Kolb, D. M.
Pd deposition onto Au(111) electrodes from sulphuric acid solution
Electrochim. Acta, 51:125-132
2005
269.
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Ivanova, V.; Baunach, T. und Kolb, D. M.
Metal deposition onto a thiol-covered gold surface: A new approach
Electrochim. Acta, 50:4283-4288
2005
268.
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Pajkossy, T.; Kibler, L.A. und Kolb, D. M.
Voltammetry and impedance measurements of Ir(111) electrodes in aqueous solutions
J. Electroanal. Chem., 582:69-75
2005
267.
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Kolb, D. M. und Simeone, F. C.
Electrochemical nanostructuring with an STM: A status report
Electrochim. Acta, 50:2989-2996
2005
266.
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Kibler, L.A.; El-Aziz, A.M.; Hoyer, R. und Kolb, D. M.
Tuning reaction rates by lateral strain in a palladium monolayer
Angew. Chem. Int. Ed., 44:2080-2084
2005
265.
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Reitzle, A.; Renner, F.U.; Lee, T.L.; Zegenhagen, J. und Kolb, D. M.
Electrochemical growth of copper on well-defined n-Si(111): H surfaces
Surface Sci., 576:19-28
2005
264.
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Jacob, T. und Goddard III., W.A.
The Chemisorption of (CHx and C2Hy) Hydrocarbons on Pt(111) clusters and surfaces from DFT Studies
Phys. Chem. B, 109(1):297-311
2005