Institute of Electrochemistry

Publications - Articles

2009

332.
P. Kaghazchi, T. Jacob, H. Wang, W. Chen and T. E. Madey, "First-principles studies on adsorbate-induced faceting of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mtext$\greater$Re$łess$/mml:mtext$\greater$$łess$mml:mrow$\greater$$łess$mml:mo$\greater$($łess$/mml:mo$\greater$$łess$mml:mrow$\greater$$łess$mml:mn$\greater$11$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$2$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$", Physical Review B, vol. 79, no. 13, Apr. 2009. American Physical Society (APS).
DOI:10.1103/physrevb.79.132107
File:https://doi.org/10.1103%2Fphysrevb.79.132107
331.
S. Venkatachalam and T. Jacob, "Hydrogen adsorption on Pd-containing Au(111) bimetallic surfaces", Physical Chemistry Chemical Physics, vol. 11, no. 17, pp. 3263, 2009. Royal Society of Chemistry (RSC).
DOI:10.1039/b900250b
File:https://doi.org/10.1039%2Fb900250b
330.
T. Jacob, "Mulitskalen-Modellierung (elektro-)katalytischer Reaktionen", Bunsen-Magazin, Deutsche Bunsen-Gesellschaft (DGB), vol. 6, 2009.
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/BunsenMagazin_Aspekte_2009.pdf
329.
L. A. Kibler, C. Köntje and D. M. Kolb, "Pd deposition onto Au(111) from nitrate solution", Electrochim. Acta, vol. 54, pp. 3830-3834, 2009.
328.
T. Pajkossy and D. M. Kolb, "The interfacial capacitance of Rh(111) in HCl solutions", Electrochim. Acta, vol. 54, pp. 3594-3599, 2009.
327.
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
File:https://doi.org/10.1063%2F1.3212449

2008

326.
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.
325.
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
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/FD140_rev.pdf
324.
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
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/JCP_129_084704_2008.pdf
323.
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
File:https://doi.org/10.1140%2Fepjb%2Fe2008-00378-3
322.
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
File:https://doi.org/10.1103%2Fphysrevb.78.121406
321.
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
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ACS_Nano_2_1280_2008.pdf
320.
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, Mar. 2008. Elsevier BV.
DOI:10.1016/j.cplett.2008.02.058
File:https://doi.org/10.1016%2Fj.cplett.2008.02.058
319.
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
File:https://doi.org/10.1021%2Fnn800210v
318.
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
File:https://doi.org/10.1103%2Fphysreva.78.032518
317.
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
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PRA_78_032518_2008.pdf
316.
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.
315.
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
File:https://doi.org/10.1021%2Fjp074806y
314.
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
File:https://doi.org/10.1039%2Fb719551f
313.
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.
312.
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, Oct. 2008. American Chemical Society (ACS).
DOI:10.1021/ja804078v
File:https://doi.org/10.1021%2Fja804078v
311.
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
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Cyanohydroxypyridines_submitted.pdf
310.
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
File:https://doi.org/10.1021%2Fjp808143p
309.
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
File:https://doi.org/10.1002%2Fange.200800406
308.
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.