2011

417.
Jacob, T.; Anton, J.; Keith, J. A.; Fantauzzi, D.; Kleiner, K.; Comas-Vives, A.; Naderian, M.; Mueller, J. E.; Mesgar, M.
Multiscale-Modeling of Ripening on Au(100)
Adv. Phys. Chem. (special issue) :252591
2011
DOI:10.1155/2011/252591
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0079_Multiscale_Modeling_of_Ripening_on_Au_AdvPhysChem_2011.pdf
416.
Bandlow, Jochen; Kaghazchi, Payam; Jacob, Timo; Papp, C.; Tränkenschuh, B.; Streber, R.; Lorenz, M. P. A.; Fuhrmann, T.; Denecke, R.; Steinrück, H.-P.
Oxidation of stepped Pt(111) studied by x-ray photoelectron spectroscopy and density functional theory
Physical Review B, 83 (17) :174107
May 2011
Publisher: American Physical Society (APS)
DOI:10.1103/physrevb.83.174107
File:https://doi.org/10.1103%2Fphysrevb.83.174107
415.
Jacob, T.; Piskunov, S.; Spohr, E.
Oxygen adsorption at La1xSrxMnO3(001) surfaces: Predictions from first-principles
Phys. Rev. B (Brief Reports), 83 :073402
2011
DOI:10.1103/physrevb.83.073402
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0073_Oxygen_Adsobtion_PhysRevB_2011.pdf
414.
Piskunov, Sergei; Jacob, Timo; Spohr, Eckhard
Oxygen adsorption at$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$La$łess$/mml:mi$\greater$$łess$mml:mrow$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$mml:mo$\greater$-$łess$/mml:mo$\greater$$łess$mml:mi$\greater$x$łess$/mml:mi$\greater$$łess$/mml:mrow$\greater$$łess$/mml:msub$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$Sr$łess$/mml:mi$\greater$$łess$mml:mrow$\greater$$łess$mml:mi$\greater$x$łess$/mml:mi$\greater$$łess$/mml:mrow$\greater$$łess$/mml:msub$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$MnO$łess$/mml:mi$\greater$$łess$mml:mrow$\greater$$łess$mml:mn$\greater$3$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$/mml:msub$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$(001) surfaces: Predictions from first principles
Physical Review B, 83 (7)
February 2011
Publisher: American Physical Society (APS)
DOI:10.1103/physrevb.83.073402
File:https://doi.org/10.1103%2Fphysrevb.83.073402
413.
Shaw, Scott K.; Berná, Antonio; Feliu, Juan Miguel; Nichols, Richard J.; Jacob, Timo; Schiffrin, David J.
Role of axially coordinated surface sites for electrochemically controlled carbon monoxide adsorption on single crystal copper electrodes
Physical Chemistry Chemical Physics, 13 (12) :5242
2011
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/c0cp02064h
File:https://doi.org/10.1039%2Fc0cp02064h
412.
Kaghazchi, Payam; Jacob, Timo
Structure of rhenium surfaces in an oxygen environment
Physical Review B, 83 (3) :035417
January 2011
Publisher: American Physical Society (APS)
DOI:10.1103/physrevb.83.035417
File:https://doi.org/10.1103%2Fphysrevb.83.035417
411.
Favry, E.; Fantauzzi, D.; Anton, J.; Su, D. S.; Jacob, T.; Alonso-Vante, N.
Synthesis, electrochemical characterization and molecular dynamics studies of surface segregation of platinum nano-alloy electrocatalysts
Physical Chemistry Chemical Physics, 13 (20) :9201
2011
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/c0cp02384a
File:https://doi.org/10.1039%2Fc0cp02384a
410.
409.
Pajkossy, T.; Kolb, D. M.
The interfacial capacitance of Au(100) in an ionic liquid, 1-butyl-3-methyl-imidazolium hexafluorophosphate
Electrochem. Comm., 13 :284-286
2011
408.
Gnahm, M.; Kolb, D. M.
The purification of an ionic liquid
J. Electroanal. Chem., 651 :250-252
2011

2010

407.
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
406.
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
405.
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
404.
Venkatachalam, S.; Jacob, T.
Density functional theory applied to electrocatalysis
December 2010
DOI:10.1002/9780470974001.f500008
ISBN:978-0-470-72311-1
403.
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
402.
Gajdzik, J.; Lenz, J.; Natter, H.; Kohring, G.-W.; Hempelmann, R.; Giffhorn, F.; Manolova, M.; Kolb, D. M.
Enzyme immobilisation on self-organised nanopatterned electrode surfaces
Phys. Chem. Chem. Phys., 12 :12604-12607
2010
401.
Eberle, F.; Metzler, M.; Kolb, D. M.; Saitner, M.; Boyen, H.-G.; Wagner, P.
Metallization of ultra-thin, non-thiol SAMs with flat-lying molecular units: Pd on 1,4-dicyanobenzene
ChemPhysChem., 11 :2114-2117
2010
400.
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
399.
Kaghazchi, Payam; Jacob, Timo
Nitrogen-induced roughening of Re surfaces on the atomic scale
Physical Review B, 82 (16) :165448
October 2010
Publisher: American Physical Society (APS)
DOI:10.1103/physrevb.82.165448
File:https://doi.org/10.1103%2Fphysrevb.82.165448
398.
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
397.
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
396.
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
395.
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
394.
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
393.
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