2010

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

2009

379.
Janowska, Izabela; Ersen, Ovidiu; Jacob, Timo; Vennégues, Philippe; Bégin, Dominique; Ledoux, Marc-Jacques; Pham-Huu, Cuong
Catalytic unzipping of carbon nanotubes to few-layer graphene sheets under microwaves irradiation
Applied Catalysis A: General, 371 (1-2) :22—30
December 2009
Publisher: Elsevier BV
DOI:10.1016/j.apcata.2009.09.013
File:https://doi.org/10.1016%2Fj.apcata.2009.09.013
378.
Chen, Wenhua; Stottlemyer, Alan L.; Chen, Jingguang G.; Kaghazchi, Payam; Jacob, Timo; Madey, Theodore E.; Bartynski, Robert A.
Adsorption and decomposition of NO on O-covered planar and faceted Ir(2 1 0)
Surface Science, 603 (20) :3136—3144
October 2009
Publisher: Elsevier BV
DOI:10.1016/j.susc.2009.08.027
File:https://doi.org/10.1016%2Fj.susc.2009.08.027
377.
Pershina, V.; Anton, J.; Jacob, T.
Theoretical predictions of adsorption behavior of elements 112 and 114 and their homologs Hg and Pb
The Journal of Chemical Physics, 131 (8) :084713
August 2009
Publisher: AIP Publishing
DOI:10.1063/1.3212449
File:https://doi.org/10.1063%2F1.3212449