Institut für Elektrochemie

2009

364.
T. Pajkossy and D. M. Kolb, "The interfacial capacitance of Rh(111) in HCl solutions", Electrochim. Acta, vol. 54, pp. 3594-3599, 2009.
363.
V. Pershina, J. Anton and T. Jacob, "Theoretical predictions of adsorption behavior of elements 112 and 114 and their homologs Hg and Pb", The Journal of Chemical Physics, vol. 131, no. 8, pp. 084713, Aug. 2009. AIP Publishing.
DOI:10.1063/1.3212449
Datei:https://doi.org/10.1063%2F1.3212449

2008

362.
T. Jacob, "Ab Initio Atomistic Thermodynamics for Fuel Cell Catalysis" in Fuel Cell Catalysis, John Wiley & Sons, Inc., 2008, pp. 129—158.
DOI:10.1002/9780470463772.ch5
Datei:https://doi.org/10.1002%2F9780470463772.ch5
361.
T. Pajkossy and D. M. Kolb, "Anion-adsorption related frequency-dependent double layer capacitance of the platinum group metals in the double layer region", Electrochim. Acta, vol. 53, pp. 7403-7409, 2008.
360.
T. Jacob, P. Kaghazchi, F. C. Simeone, K. A. Soliman and L. A. Kibler, "Bridging the Gap between Nanoparticles and Single-Crystal Surfaces", Faraday Diss., vol. 140, pp. 69-80, 2008.
DOI:10.1039/B802919A
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/FD140_rev.pdf
359.
T. Jacob, A. Wiltner and C. Linsmeier, "Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from XPS and DFT analysis", J. Chem. Phys., vol. 129, pp. 084704, 2008.
DOI:10.1063/1.2971177
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/JCP_129_084704_2008.pdf
358.
T. T. Järvi, A. Kuronen, M. Hakala, A. C. T. Duin, W. A. Goddard and T. Jacob, "Development of a ReaxFF description for gold", The European Physical Journal B, vol. 66, no. 1, pp. 75—79, Sep. 2008. Springer Science and Business Media LLC.
DOI:10.1140/epjb/e2008-00378-3
Datei:https://doi.org/10.1140%2Fepjb%2Fe2008-00378-3
357.
S. Piskunov, E. Heifets, T. Jacob, E. A. Kotomin, D. E. Ellis and E. Spohr, "Electronic structure and thermodynamic stability of LaMnO3 and La_(1-x)Sr_xMnO_3(001) surfaces: Ab initio calculations", Physical Review B, vol. 78, no. 12, Sep. 2008. American Physical Society (APS).
DOI:10.1103/physrevb.78.121406
Datei:https://doi.org/10.1103%2Fphysrevb.78.121406
356.
T. Jacob, I. Ermanoski, T. E. Madey, P. Kaghazchi and H. Wang, "First Principle Studies on Oxygen-Induced Faceting of Ir(210)", ACS Nano, vol. 2, pp. 1280-1288, 2008.
DOI:10.1021/nn800210v
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ACS_Nano_2_1280_2008.pdf
355.
S. Venkatachalam, P. Kaghazchi, L. A. Kibler, D. M. Kolb and T. Jacob, "First principles studies of the potential-induced lifting of the Au(100) surface reconstruction", Chemical Physics Letters, vol. 455, no. 1-3, pp. 47—51, Mä. 2008. Elsevier BV.
DOI:10.1016/j.cplett.2008.02.058
Datei:https://doi.org/10.1016%2Fj.cplett.2008.02.058
354.
P. Kaghazchi, T. Jacob, I. Ermanoski, W. Chen and T. E. Madey, "First-Principles Studies on Oxygen-Induced Faceting of Ir(210)", ACS Nano, vol. 2, no. 6, pp. 1280—1288, Jun. 2008. American Chemical Society (ACS).
DOI:10.1021/nn800210v
Datei:https://doi.org/10.1021%2Fnn800210v
353.
V. Pershina, J. Anton and T. Jacob, "Fully relativistic density-functional-theory calculations of the electronic structures of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mi$\greater$M$łess$/mml:mi$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$O$łess$/mml:mi$\greater$$łess$mml:mn$\greater$4$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$($łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mi$\greater$M$łess$/mml:mi$\greater$$łess$mml:mo$\greater$=$łess$/mml:mo$\greater$$łess$mml:mi mathvariant="normal"$\greater$Ru$łess$/mml:mi$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$, Os, and element 108, Hs) and prediction of physisorption", Physical Review A, vol. 78, no. 3, Sep. 2008. American Physical Society (APS).
DOI:10.1103/physreva.78.032518
Datei:https://doi.org/10.1103%2Fphysreva.78.032518
352.
T. Jacob, J. Anton and V. Pershina, "Fully-relativistic DFT Calculations of the Electronic Structures of MO4 (M=Ru, Os, and Element 108, Hs) and Prediction of Physisorption", Phys. Rev. A, vol. 78, pp. 032518, 2008.
DOI:10.1103/PhysRevA.78.032518
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PRA_78_032518_2008.pdf
351.
F. U. Renner, A. Stierle, H. Dosch, D. M. Kolb, T. L. Lee and J. Zegenhagen, "In situ x-ray diffraction study of the initial dealloying and passivation of Cu3Au(111) during anodic dissolution", Phys. Rev. B, vol. 77, pp. 235433-235442, 2008.
350.
C. F. Sanz-Navarro, P. Åstrand, D. Chen, M. Rønning, A. C. T. Duin, T. Jacob and W. A. Goddard, "Molecular Dynamics Simulations of the Interactions between Platinum Clusters and Carbon Platelets", The Journal of Physical Chemistry A, vol. 112, no. 7, pp. 1392—1402, Jan. 2008. American Chemical Society (ACS).
DOI:10.1021/jp074806y
Datei:https://doi.org/10.1021%2Fjp074806y
349.
T. E. Madey, W. Chen, H. Wang, P. Kaghazchi and T. Jacob, "Nanoscale surface chemistry over faceted substrates: structure, reactivity and nanotemplates", Chemical Society Reviews, vol. 37, no. 10, pp. 2310, 2008. Royal Society of Chemistry (RSC).
DOI:10.1039/b719551f
Datei:https://doi.org/10.1039%2Fb719551f
348.
M. Manolova, M. Schweizer and D. M. Kolb, "Potential-induced structure transitions in self-assembled monolayers: II. Propanethiol on Au(100) ", Surface Sci., vol. 602, pp. 3303-3307, 2008.
347.
J. Lu, J. A. Keith, W. Shen, M. Schürmann, H. Preut, T. Jacob and H. Arndt, "Regioselective De Novo Synthesis of Cyanohydroxypyridines with a Concerted Cycloaddition Mechanism", Journal of the American Chemical Society, vol. 130, no. 40, pp. 13219—13221, Okt. 2008. American Chemical Society (ACS).
DOI:10.1021/ja804078v
Datei:https://doi.org/10.1021%2Fja804078v
346.
T. Jacob, J. -. Lu, W. -. Shen, H. Preut, H. -. Arndt, J. A. Keith and M. Schürmann, "Regioselective de-novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism", J. Am. Chem. Soc. (Communication), vol. 130(40), pp. 13219-13221, 2008.
DOI:10.1021/ja804078v
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Cyanohydroxypyridines_submitted.pdf
345.
W. Chen, T. E. Madey, A. L. Stottlemyer, J. G. Chen, P. Kaghazchi and T. Jacob, "Structure Sensitivity in Adsorption and Decomposition of NO on Ir", The Journal of Physical Chemistry C, vol. 112, no. 48, pp. 19113—19120, Nov. 2008. American Chemical Society (ACS).
DOI:10.1021/jp808143p
Datei:https://doi.org/10.1021%2Fjp808143p
344.
D. S. Su, T. Jacob, T. 2. Hansen, D. Wang, R. Schlögl, B. Freitag and S. Kujawa, "Surface Chemistry of Ag Particles: Identification of Oxide Species by Aberration-Corrected TEM and by DFT Calculations", Angewandte Chemie, vol. 120, no. 27, pp. 5083—5086, Jun. 2008. Wiley.
DOI:10.1002/ange.200800406
Datei:https://doi.org/10.1002%2Fange.200800406
343.
M. Smetanin, R. N. Viswanath, D. Kramer, D. Beckmann, T. Koch, L. A. Kibler, D. M. Kolb and J. Weissmüller, "Surface stress-charge response of a (111)-textured gold electrode under conditions of weak ion adsorption", Langmuir, vol. 24, pp. 8561-8567, 2008.
342.
D. M. Kolb, Y. Wei, X. Zhou, J. Wang, J. Tang and B. Mao, "The creation of nanostructures on a Au(111) electrode by tip-induced iron depositon from an ionic liquid", Small, vol. 9, pp. 1355-1358, 2008.
341.
T. Jacob, S. Piskunov, E. Spohr, E. A. Kotomin, D. E. Ellis and E. Heifets, "The Electronic Structure and Thermodynamic Stability of LaMnO3 and La1-xSrxMnO3 (001) Surfaces: Ab initio Calculations", Phys. Rev. B (Rapid Communication), vol. 121406(R), pp. 78, 2008.
DOI:10.1103/PhysRevB.78.121406
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_45_2008.pdf
340.
F. C. Simeone, D. M. Kolb, S. Venkatachalam and T. Jacob, "Tunneling behavior of electrified interfaces", Surface Science, vol. 602, no. 7, pp. 1401—1407, Apr. 2008. Elsevier BV.
DOI:10.1016/j.susc.2008.01.034
Datei:https://doi.org/10.1016%2Fj.susc.2008.01.034