2010

401.
V. Pershina, A. Borschevsky, J. Anton and T. Jacob, "Theoretical predictions of trends in spectroscopic properties of gold containing dimers of the 6p and 7p elements and their adsorption on gold", The Journal of Chemical Physics, vol. 133, no. 10, pp. 104304, Sep. 2010. AIP Publishing.
DOI:10.1063/1.3476470
Datei:https://doi.org/10.1063%2F1.3476470
400.
J. A. Keith, G. Jerkiewicz and T. Jacob, "Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)", ChemPhysChem, vol. 11, no. 13, pp. 2779—2794, Aug. 2010. Wiley.
DOI:10.1002/cphc.201000286
Datei:https://doi.org/10.1002%2Fcphc.201000286
399.
W. Chen, Q. Shen, R. A. Bartynski, P. Kaghazchi and T. Jacob, "Reduction of NO by CO on Unsupported Ir: Bridging the Materials Gap", ChemPhysChem, vol. 11, no. 12, pp. 2515—2520, Jul. 2010. Wiley.
DOI:10.1002/cphc.201000254
Datei:https://doi.org/10.1002%2Fcphc.201000254
398.
J. A. Keith, D. Fantauzzi, T. Jacob and A. C. T. Duin, "Reactive forcefield for simulating gold surfaces and nanoparticles", Physical Review B, vol. 81, no. 23, pp. 235404, Jun. 2010. American Physical Society (APS).
DOI:10.1103/physrevb.81.235404
Datei:https://doi.org/10.1103%2Fphysrevb.81.235404
397.
K. Pötting, W. Schmickler and T. Jacob, "Self-Diffusion on Au(100): A Density Functional Theory Study", ChemPhysChem, vol. 11, no. 7, pp. 1395—1404, Mai 2010. Wiley.
DOI:10.1002/cphc.200900807
Datei:https://doi.org/10.1002%2Fcphc.200900807
396.
V. Pershina, A. Borschevsky, J. Anton and T. Jacob, "Theoretical predictions of trends in spectroscopic properties of homonuclear dimers and volatility of the 7p elements", The Journal of Chemical Physics, vol. 132, no. 19, pp. 194314, Mai 2010. AIP Publishing.
DOI:10.1063/1.3425996
Datei:https://doi.org/10.1063%2F1.3425996
395.
P. Kaghazchi and T. Jacob, "Oxygen-induced reconstruction 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$10$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$0$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$studied by density functional theory", Physical Review B, vol. 81, no. 7, Feb. 2010. American Physical Society (APS).
DOI:10.1103/physrevb.81.075431
Datei:https://doi.org/10.1103%2Fphysrevb.81.075431
394.
T. Jacob and J. A. Keith, "Atomic-level elucidation of the initial stages of self-assembled monolayer metallization", Chem. Eur. J. (Very Important Paper), vol. 16, pp. 12381 - 12386, 2010.
DOI:10.1002/chem.201001396
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChem_ORR_2010.pdf
393.
D. M. Kolb and M. Schweizer, "Characterization and modification of electrode surfaces by in-situ STM" in Scanning Tunneling Microscopy in Surface Science, Nanoscience and Catalysis,, M. Bowker and h. Davies, Eds. Weinheim: Wiley-VCH, 2010, pp. 119-146.
392.
J. A. Keith and T. Jacob, "Computational Simulations on the Oxygen Reduction Reaction in Electrochemical Systems" in Modern Aspects of Electrochemistry, P. Balbuena, V. Subramanian, Eds. Heidelberg, Germany: Springer New York, 2010, pp. 89—132.
DOI:10.1007/978-1-4419-5594-4_3
ISBN:978-1-4419-5593-7
Datei:https://doi.org/10.1007%2F978-1-4419-5594-4_3
391.
K. Joshi, A. C. T. Duin and T. Jacob, "Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces", Journal of Materials Chemistry, vol. 20, no. 46, pp. 10431, 2010. Royal Society of Chemistry (RSC).
DOI:10.1039/c0jm01556c
Datei:https://doi.org/10.1039%2Fc0jm01556c
390.
D. M. Kolb, M. Manolova, J. Gajdzik, J. Lenz, H. Natter, G. -. Kohring, F. Giffhorn and R. Hempelmann, "Enzyme immobilisation on self-organised nanopatterned electrode surfaces", Phys. Chem. Chem. Phys., vol. 12, pp. 12604-12607, 2010.
389.
D. M. Kolb, H. -. Boyen, M. Metzler, F. Eberle, M. Saitner and P. Wagner, "Metallization of ultra-thin, non-thiol SAMs with flat-lying molecular units: Pd on 1,4-dicyanobenzene ", ChemPhysChem., vol. 11, pp. 2114-2117, 2010.
388.
P. Kaghazchi, D. Fantauzzi, J. Anton and T. Jacob, "Nanoscale-faceting of metal surfaces induced by adsorbates", Physical Chemistry Chemical Physics, vol. 12, no. 31, pp. 8669, 2010. Royal Society of Chemistry (RSC).
DOI:10.1039/c000766h
Datei:https://doi.org/10.1039%2Fc000766h
387.
T. Jacob, J. Anton, W. Gao and J. A. Keith, "Oxidation of Formic Acid on Pt(111) surface in gas phase", Dalton Trans. (special issue), vol. 39, pp. 8450-8456, 2010.
DOI:10.1039/C0DT00404A
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/DaltonTrans_39_8450_2010.pdf
386.
T. Jacob and P. Kaghazchi, "Oxygen-Induced Reconstruction of Re(1010) studied by Density Functional Theory", Phys. Rev. B, vol. 81(7), pp. 075431, 2010.
DOI:10.1103/physrevb.81.075431
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_81_075431_2010.pdf
385.
T. Jacob, W. Schmickler and K. Pötting, "Self-Diffusion on Au(100) - A Density Functional Theory Study", Chem. Phys. Chem. (special issue), vol. 11, pp. 1395-1404, 2010.
DOI:10.1002/cphc.200900807
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/CPC_Au_diffusion_2010.pdf
384.
D. M. Kolb, T. Pajkossy and M. Gnahm, "The interface between Au(111) and an ionic liquid", Electrochim. Acta, vol. 55, pp. 6212-6217, 2010.
383.
D. M. Kolb, H. -. Boyen, M. Kayser, D. Mayer, A. Wirth, F. Eberle and M. Saitner, "The metallization of organic surfaces: Pd on thiazole", Langmuir, vol. 55, pp. 4738-4742, 2010.
382.
T. Jacob, J. A. Keith and G. Jerkiewicz, "Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111) Electrodes", Chem. Phys. Chem., vol. 11, pp. 2779-2794, 2010.
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ChemPhysChem_11_2779_2010.pdf
381.
T. Jacob and J. A. Keith, "Theoretical Studies of Pd Metal Deposition on the √3×√3 4-Mercaptopyridine Self-Assembled Monolayer", Electrochim. Acta (specia issue), vol. 55, pp. 8258-8262, 2010.
DOI:10.1016/j.electacta.2010.04.027
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/EActa_55_8258_2010.pdf
380.
T. Jacob and J. A. Keith, "Theoretische Untersuchungen zu potentialabhaengigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)", Angew. Chem., vol. 122, pp. 9711 - 9716, 2010.
DOI:10.1002/ange.201004794
Datei:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChem_122_9711_2010.pdf

2009

379.
I. Janowska, O. Ersen, T. Jacob, P. Vennégues, D. Bégin, M. Ledoux and C. Pham-Huu, "Catalytic unzipping of carbon nanotubes to few-layer graphene sheets under microwaves irradiation", Applied Catalysis A: General, vol. 371, no. 1-2, pp. 22—30, Dez. 2009. Elsevier BV.
DOI:10.1016/j.apcata.2009.09.013
Datei:https://doi.org/10.1016%2Fj.apcata.2009.09.013
378.
W. Chen, A. L. Stottlemyer, J. G. Chen, P. Kaghazchi, T. Jacob, T. E. Madey and R. A. Bartynski, "Adsorption and decomposition of NO on O-covered planar and faceted Ir(2 1 0)", Surface Science, vol. 603, no. 20, pp. 3136—3144, Okt. 2009. Elsevier BV.
DOI:10.1016/j.susc.2009.08.027
Datei:https://doi.org/10.1016%2Fj.susc.2009.08.027
377.
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