2011
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$$łess$/mml:math$\greater$(001) surfaces: Predictions from first principles
Physical Review B, 83 (7)
February 2011
Publisher: American Physical Society (APS)
Oxygen adsorption at$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$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)
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)
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)
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
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
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
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: |  /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
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
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
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)
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
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
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)
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)
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
Oxidation of Formic Acid on Pt(111) surface in gas phase
Dalton Trans. (special issue), 39 :8450-8456
2010
| DOI: | 10.1039/C0DT00404A |
| File: | /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
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: | /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$studied by density functional theory
Physical Review B, 81 (7)
February 2010
Publisher: American Physical Society (APS)
Oxygen-induced reconstruction of$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)
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
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
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: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/CPC_Au_diffusion_2010.pdf |
392.
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
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 |
391.
Gnahm,
M.;
Pajkossy,
T.;
Kolb,
D. M.
The interface between Au(111) and an ionic liquid
Electrochim. Acta, 55 :6212-6217
2010
The interface between Au(111) and an ionic liquid
Electrochim. Acta, 55 :6212-6217
2010
390.
Eberle,
F.;
Kolb,
D. M.;
Kayser,
M.;
Boyen,
H.-G.;
Saitner,
M.;
Mayer,
D.;
Wirth,
A.
The metallization of organic surfaces: Pd on thiazole
Langmuir, 55 :4738-4742
2010
The metallization of organic surfaces: Pd on thiazole
Langmuir, 55 :4738-4742
2010