Publikationen - Artikel

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
Datei:	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
Datei:	https://doi.org/10.1039%2Fb900250b

330.

T. Jacob, "Mulitskalen-Modellierung (elektro-)katalytischer Reaktionen", Bunsen-Magazin, Deutsche Bunsen-Gesellschaft (DGB), vol. 6, 2009.

Datei:

/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
Datei:	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
Datei:	/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
Datei:	/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
Datei:	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
Datei:	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
Datei:	/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, Mä. 2008. Elsevier BV.

DOI:	10.1016/j.cplett.2008.02.058
Datei:	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
Datei:	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
Datei:	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
Datei:	/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
Datei:	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
Datei:	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, Okt. 2008. American Chemical Society (ACS).

DOI:	10.1021/ja804078v
Datei:	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
Datei:	/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
Datei:	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
Datei:	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.