2011
426.
Keith,
John A.;
Anton,
Josef;
Kaghazchi,
Payam;
Jacob,
Timo
Modeling Catalytic Reactions on Surfaces with Density Functional Theory
November 2011
Modeling Catalytic Reactions on Surfaces with Density Functional Theory
November 2011
| DOI: | 10.1002/9783527639878.ch1 |
| File: | https://doi.org/10.1002%2F9783527639878.ch1 |
425.
Mertens,
Stijn F. L.;
Gara,
Matthew;
Sologubenko,
Alla S.;
Mayer,
Joachim;
Szidat,
Sönke;
Krämer,
Karl W.;
Jacob,
Timo;
Schiffrin,
David J.;
Wandlowski,
Thomas
Au@Hg Nanoalloy Formation Through Direct Amalgamation: Structural, Spectroscopic, and Computational Evidence for Slow Nanoscale Diffusion
Advanced Functional Materials, 21 (17) :3259—3267
July 2011
Publisher: Wiley
Au@Hg Nanoalloy Formation Through Direct Amalgamation: Structural, Spectroscopic, and Computational Evidence for Slow Nanoscale Diffusion
Advanced Functional Materials, 21 (17) :3259—3267
July 2011
Publisher: Wiley
| DOI: | 10.1002/adfm.201100409 |
| File: | https://doi.org/10.1002%2Fadfm.201100409 |
424.
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)
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 |
423.
Rinaldi,
Ali;
Tessonnier,
Jean-Philippe;
Schuster,
Manfred E.;
Blume,
Raoul;
Girgsdies,
Frank;
Zhang,
Qiang;
Jacob,
Timo;
Hamid,
Sharifah Bee;
Su,
Dang Sheng;
Schlögl,
Robert
Dissolved Carbon Controls the Initial Stages of Nanocarbon Growth
Angewandte Chemie International Edition, 50 (14) :3313—3317
February 2011
Publisher: Wiley
Dissolved Carbon Controls the Initial Stages of Nanocarbon Growth
Angewandte Chemie International Edition, 50 (14) :3313—3317
February 2011
Publisher: Wiley
| DOI: | 10.1002/anie.201006639 |
422.
Rinaldi,
Ali;
Tessonnier,
Jean-Philippe;
Schuster,
Manfred E.;
Blume,
Raoul;
Girgsdies,
Frank;
Zhang,
Qiang;
Jacob,
Timo;
Hamid,
Sharifah Bee;
Su,
Dang Sheng;
Schlögl,
Robert
Gelöster Kohlenstoff kontrolliert die erste Phase des Nanokohlenstoffwachstums
Angewandte Chemie, 123 (14) :3371—3375
February 2011
Publisher: Wiley
Gelöster Kohlenstoff kontrolliert die erste Phase des Nanokohlenstoffwachstums
Angewandte Chemie, 123 (14) :3371—3375
February 2011
Publisher: Wiley
| DOI: | 10.1002/ange.201006639 |
| File: | https://doi.org/10.1002%2Fange.201006639 |
421.
Kleiner,
Karin;
Comas-Vives,
Aleix;
Naderian,
Maryam;
Mueller,
Jonathan E.;
Fantauzzi,
Donato;
Mesgar,
Mostafa;
Keith,
John A.;
Anton,
Josef;
Jacob,
Timo
Multiscale Modeling of Au-Island Ripening on Au(100)
Advances in Physical Chemistry, 2011 :1—11
February 2011
Publisher: Hindawi Limited
Multiscale Modeling of Au-Island Ripening on Au(100)
Advances in Physical Chemistry, 2011 :1—11
February 2011
Publisher: Hindawi Limited
| DOI: | 10.1155/2011/252591 |
| File: | https://doi.org/10.1155%2F2011%2F252591 |
420.
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 |
419.
Jacob,
T.;
Landstorfer,
M.;
Funken,
S.
An advanced model framework for solid electrolyte intercalation batteries
Phys. Chem. Chem. Phys., 13 (28) :12817–12825
2011
An advanced model framework for solid electrolyte intercalation batteries
Phys. Chem. Chem. Phys., 13 (28) :12817–12825
2011
| DOI: | 10.1039/c0cp02473b |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0077_Advanced_Intercalation_Reaction_PhysChem_2011.pdf |
418.
Kolb,
D. M.;
Kibler,
L.A.;
El-Deab,
M.S.
Electrocatalytic oxidation of CO at Pt modified with manganese oxide nanorods
Electrocatalysis, 2 :220-223
2011
Electrocatalytic oxidation of CO at Pt modified with manganese oxide nanorods
Electrocatalysis, 2 :220-223
2011
417.
Kolb,
D. M.
Electrochemical surface science: Past, present and future
J. Sol. State. Elecrochem., 15 :1391-1395
2011
Electrochemical surface science: Past, present and future
J. Sol. State. Elecrochem., 15 :1391-1395
2011
416.
Kolb,
D. M.;
Kibler,
L.A.;
Viswanath,
R.N.;
Weissmüller,
J.
Impact of surface mechanics on the reactivity of electrodes
Phys. Chem. Chem. Phys., 13 :2114-2117
2011
Impact of surface mechanics on the reactivity of electrodes
Phys. Chem. Chem. Phys., 13 :2114-2117
2011
415.
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
Multiscale-Modeling of Ripening on Au(100)
Adv. Phys. Chem. (special issue) :252591
2011
| DOI: | 10.1155/2011/252591 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0079_Multiscale_Modeling_of_Ripening_on_Au_AdvPhysChem_2011.pdf |
414.
Jacob,
T.;
Piskunov,
S.;
Spohr,
E.
Oxygen adsorption at La1xSrxMnO3(001) surfaces: Predictions from first-principles
Phys. Rev. B (Brief Reports), 83 :073402
2011
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: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0073_Oxygen_Adsobtion_PhysRevB_2011.pdf |
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.
Kolb,
D. M.;
Pajkossy,
T.
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.
Kolb,
D. M.;
Gnahm,
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.
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 |
406.
Gao,
Wang;
Keith,
John A.;
Anton,
Josef;
Jacob,
Timo
Theoretical Elucidation of the Competitive Electro-oxidation Mechanisms of Formic Acid on Pt(111)
Journal of the American Chemical Society, 132 (51) :18377—18385
November 2010
Publisher: American Chemical Society (ACS)
Theoretical Elucidation of the Competitive Electro-oxidation Mechanisms of Formic Acid on Pt(111)
Journal of the American Chemical Society, 132 (51) :18377—18385
November 2010
Publisher: American Chemical Society (ACS)
| DOI: | 10.1021/ja1083317 |
| File: | https://doi.org/10.1021%2Fja1083317 |
405.
Keith,
John A.;
Jacob,
Timo
Theoretical studies of Pd metal deposition on the $\sqrt$3\texttimes$\sqrt$3 4-mercaptopyridine self-assembled monolayer
Electrochimica Acta, 55 (27) :8258—8262
November 2010
Publisher: Elsevier BV
Theoretical studies of Pd metal deposition on the $\sqrt$3\texttimes$\sqrt$3 4-mercaptopyridine self-assembled monolayer
Electrochimica Acta, 55 (27) :8258—8262
November 2010
Publisher: Elsevier BV
| DOI: | 10.1016/j.electacta.2010.04.027 |
| File: | https://doi.org/10.1016%2Fj.electacta.2010.04.027 |
404.
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 |
403.
Keith,
John A.;
Jacob,
Timo
Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)
Angewandte Chemie International Edition, 49 (49) :9521—9525
October 2010
Publisher: Wiley
Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)
Angewandte Chemie International Edition, 49 (49) :9521—9525
October 2010
Publisher: Wiley
| DOI: | 10.1002/anie.201004794 |
| File: | https://doi.org/10.1002%2Fanie.201004794 |
402.
Keith,
John A.;
Jacob,
Timo
Theoretische Untersuchungen zu potentialabhängigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)
Angewandte Chemie, 122 (49) :9711—9716
October 2010
Publisher: Wiley
Theoretische Untersuchungen zu potentialabhängigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)
Angewandte Chemie, 122 (49) :9711—9716
October 2010
Publisher: Wiley
| DOI: | 10.1002/ange.201004794 |
| File: | https://doi.org/10.1002%2Fange.201004794 |