2013
471.
Busó-Rogero,
C.;
Herrero,
E.;
Bandlow,
J.;
Comas-Vives,
A.;
Jacob,
Timo
CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment
Physical Chemistry Chemical Physics, 15 (42) :18671
2013
Publisher: Royal Society of Chemistry (RSC)
CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment
Physical Chemistry Chemical Physics, 15 (42) :18671
2013
Publisher: Royal Society of Chemistry (RSC)
| DOI: | 10.1039/c3cp53282h |
| File: | https://doi.org/10.1039%2Fc3cp53282h |
470.
Gao,
Wang;
Mueller,
Jonathan E.;
Anton,
Josef;
Jiang,
Qing;
Jacob,
Timo
Das Wachstum von Nickelclustern an Graphen-Fehlstellen: eine theoretische Studie
Angewandte Chemie, 125 (52) :14487—14491
November 2013
Publisher: Wiley
Das Wachstum von Nickelclustern an Graphen-Fehlstellen: eine theoretische Studie
Angewandte Chemie, 125 (52) :14487—14491
November 2013
Publisher: Wiley
| DOI: | 10.1002/ange.201305001 |
| File: | https://doi.org/10.1002%2Fange.201305001 |
469.
Raijput,
P.;
Gupta,
A.;
Detlefs,
B.;
Kolb,
D. M.;
Potdar,
S.;
Zegenhagen,
J.
Dealloying of CuxAu studied by hard X-ray photoelectron spectroscopy
J. Electron Spectroscopy and Related Phenomena, 190 :289-294
2013
Dealloying of CuxAu studied by hard X-ray photoelectron spectroscopy
J. Electron Spectroscopy and Related Phenomena, 190 :289-294
2013
468.
Wei,
Wei;
Jacob,
Timo
Electronic and optical properties of fluorinated graphene: A many-body perturbation theory study
Physical Review B, 87 (11) :115431
March 2013
Publisher: American Physical Society (APS)
Electronic and optical properties of fluorinated graphene: A many-body perturbation theory study
Physical Review B, 87 (11) :115431
March 2013
Publisher: American Physical Society (APS)
| DOI: | 10.1103/physrevb.87.115431 |
| File: | https://doi.org/10.1103%2Fphysrevb.87.115431 |
467.
Jacob,
T.;
Wei,
W.;
Dai,
Y.;
Huang,
B.
Enhanced Many-Body Effects in 2- and 1-Dimensional ZnO Structures: A Green’s Function Perturbation Theory Study
J. Chem. Phys., 139 :144703
2013
Enhanced Many-Body Effects in 2- and 1-Dimensional ZnO Structures: A Green’s Function Perturbation Theory Study
J. Chem. Phys., 139 :144703
2013
| DOI: | 10.1063/1.4824078 |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0099_Enhanced_Many_Body_Effects_JChemPhys_2013.pdf |
466.
Wei,
Wei;
Dai,
Ying;
Huang,
Baibiao;
Jacob,
Timo
Enhanced many-body effects in 2- and 1-dimensional ZnO structures: A Green\textquotesingles function perturbation theory study
The Journal of Chemical Physics, 139 (14) :144703
October 2013
Publisher: AIP Publishing
Enhanced many-body effects in 2- and 1-dimensional ZnO structures: A Green\textquotesingles function perturbation theory study
The Journal of Chemical Physics, 139 (14) :144703
October 2013
Publisher: AIP Publishing
| DOI: | 10.1063/1.4824078 |
| File: | https://doi.org/10.1063%2F1.4824078 |
465.
Zheng,
Weiqing;
Cotter,
Thomas P.;
Kaghazchi,
Payam;
Jacob,
Timo;
Frank,
Benjamin;
Schlichte,
Klaus;
Zhang,
Wei;
Su,
Dang Sheng;
Schüth,
Ferdi;
Schlögl,
Robert
Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition
Journal of the American Chemical Society, 135 (9) :3458—3464
February 2013
Publisher: American Chemical Society (ACS)
Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition
Journal of the American Chemical Society, 135 (9) :3458—3464
February 2013
Publisher: American Chemical Society (ACS)
| DOI: | 10.1021/ja309734u |
| File: | https://doi.org/10.1021%2Fja309734u |
464.
Kaghazchi,
P.;
Su,
D.S.;
Schlögl,
R.;
Zheng,
W.;
Cotter,
T. P.;
Frank,
B.;
Schlichte,
K.;
Zhang,
W.;
Schüth,
F.
Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition
J. Am. Chem. Soc., 135 (9) :3458 – 3464
2013
Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition
J. Am. Chem. Soc., 135 (9) :3458 – 3464
2013
| DOI: | https://doi.org/10.1021/ja309734u |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0093_Molybdenum_Carbide_and_Nitride_JAmChemSoc_2013.pdf |
463.
Wei,
Wei;
Dai,
Ying;
Huang,
Baibiao;
Jacob,
Timo
Many-body effects in silicene, silicane, germanene and germanane
Physical Chemistry Chemical Physics, 15 (22) :8789
2013
Publisher: Royal Society of Chemistry (RSC)
Many-body effects in silicene, silicane, germanene and germanane
Physical Chemistry Chemical Physics, 15 (22) :8789
2013
Publisher: Royal Society of Chemistry (RSC)
| DOI: | 10.1039/c3cp51078f |
| File: | https://doi.org/10.1039%2Fc3cp51078f |
462.
Landstorfer,
Manuel;
Jacob,
Timo
Mathematical modeling of intercalation batteries at the cell level and beyond
Chemical Society Reviews, 42 (8) :3234
2013
Publisher: Royal Society of Chemistry (RSC)
Mathematical modeling of intercalation batteries at the cell level and beyond
Chemical Society Reviews, 42 (8) :3234
2013
Publisher: Royal Society of Chemistry (RSC)
| DOI: | 10.1039/c2cs35050e |
| File: | https://doi.org/10.1039%2Fc2cs35050e |
461.
Jacob,
T.;
Landstorfer,
M.
Mathematical Modeling of Intercalation Batteries on Cell Level and Beyond
Chem. Soc. Rev., 42(8) :3234-3252
2013
Mathematical Modeling of Intercalation Batteries on Cell Level and Beyond
Chem. Soc. Rev., 42(8) :3234-3252
2013
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/R4_Mathematical_Modeling_online_version.pdf |
460.
Mueller,
Jonathan E.;
Fantauzzi,
Donato;
Jacob,
Timo
Multiscale Modeling of Electrochemical Systems
December 2013
Multiscale Modeling of Electrochemical Systems
December 2013
| DOI: | 10.1002/9783527680436.ch1 |
| File: | https://doi.org/10.1002%2F9783527680436.ch1 |
459.
Gao,
Wang;
Mueller,
Jonathan E.;
Anton,
Josef;
Jiang,
Qing;
Jacob,
Timo
Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study
Angewandte Chemie International Edition, 52 (52) :14237—14241
November 2013
Publisher: Wiley
Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study
Angewandte Chemie International Edition, 52 (52) :14237—14241
November 2013
Publisher: Wiley
| DOI: | 10.1002/anie.201305001 |
| File: | https://doi.org/10.1002%2Fanie.201305001 |
458.
Chen,
Wenhua;
Shen,
Quantong;
Bartynski,
Robert A.;
Kaghazchi,
Payam;
Jacob,
Timo
Reduction of Nitric Oxide by Acetylene on Ir Surfaces with Different Morphologies: Comparison with Reduction of NO by CO
Langmuir, 29 (4) :1113—1121
January 2013
Publisher: American Chemical Society (ACS)
Reduction of Nitric Oxide by Acetylene on Ir Surfaces with Different Morphologies: Comparison with Reduction of NO by CO
Langmuir, 29 (4) :1113—1121
January 2013
Publisher: American Chemical Society (ACS)
| DOI: | 10.1021/la3043878 |
| File: | https://doi.org/10.1021%2Fla3043878 |
457.
Köntje,
C.;
Kolb,
D. M.;
Jerkiewicz,
G.
Roughening and Long-Range Nanopatterning of Au(111) through Potential Cycling in Aqueous Acidic Media
Langmuir, 29 :10272-10278
2013
Roughening and Long-Range Nanopatterning of Au(111) through Potential Cycling in Aqueous Acidic Media
Langmuir, 29 :10272-10278
2013
456.
Zhu,
Tianwei;
Hensen,
Emiel J. M.;
Santen,
Rutger A.;
Tian,
Na;
Sun,
Shi-Gang;
Kaghazchi,
Payam;
Jacob,
Timo
Roughening of Pt nanoparticles induced by surface-oxide formation
Physical Chemistry Chemical Physics, 15 (7) :2268
2013
Publisher: Royal Society of Chemistry (RSC)
Roughening of Pt nanoparticles induced by surface-oxide formation
Physical Chemistry Chemical Physics, 15 (7) :2268
2013
Publisher: Royal Society of Chemistry (RSC)
| DOI: | 10.1039/c2cp44252c |
| File: | https://doi.org/10.1039%2Fc2cp44252c |
455.
Wei,
W.;
Jacob,
T.
Strong excitonic effects in the optical properties of graphitic carbon nitride g-C3N4 from first principles
Phys. Rev. B (Editor’s suggestion), 87 :085202
2013
Strong excitonic effects in the optical properties of graphitic carbon nitride g-C3N4 from first principles
Phys. Rev. B (Editor’s suggestion), 87 :085202
2013
| DOI: | 10.1103/PhysRevB.87.085202 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0094_Strong_Excitonic_Effects_PhysRevB_2013.pdf |
454.
Wei,
Wei;
Jacob,
Timo
Strong excitonic effects in the optical properties of graphitic carbon nitride$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mi$\greater$g$łess$/mml:mi$\greater$$łess$/mml:math$\greater$-C$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:msub$\greater$$łess$mml:mrow /$\greater$$łess$mml:mn$\greater$3$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:math$\greater$N$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:msub$\greater$$łess$mml:mrow /$\greater$$łess$mml:mn$\greater$4$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:math$\greater$from first principles
Physical Review B, 87 (8)
February 2013
Publisher: American Physical Society (APS)
Strong excitonic effects in the optical properties of graphitic carbon nitride$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mi$\greater$g$łess$/mml:mi$\greater$$łess$/mml:math$\greater$-C$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:msub$\greater$$łess$mml:mrow /$\greater$$łess$mml:mn$\greater$3$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:math$\greater$N$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:msub$\greater$$łess$mml:mrow /$\greater$$łess$mml:mn$\greater$4$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:math$\greater$from first principles
Physical Review B, 87 (8)
February 2013
Publisher: American Physical Society (APS)
| DOI: | 10.1103/physrevb.87.085202 |
| File: | https://doi.org/10.1103%2Fphysrevb.87.085202 |
453.
Wei,
Wei;
Jacob,
Timo
Strong many-body effects in silicene-based structures
Physical Review B, 88 (4) :045203
July 2013
Publisher: American Physical Society (APS)
Strong many-body effects in silicene-based structures
Physical Review B, 88 (4) :045203
July 2013
Publisher: American Physical Society (APS)
| DOI: | 10.1103/physrevb.88.045203 |
| File: | https://doi.org/10.1103%2Fphysrevb.88.045203 |
452.
Jacob,
T.;
Mueller,
J. E.;
Hoffmannova,
H.;
Okube,
M.;
Petrykin,
V.;
Krtil,
P.
Surface Stability of Pt3Ni Nanoparticulate Alloy Electrocatalysts in Hydrogen Adsorption
Langmuir, 29 :9046 – 9050
2013
Surface Stability of Pt3Ni Nanoparticulate Alloy Electrocatalysts in Hydrogen Adsorption
Langmuir, 29 :9046 – 9050
2013
| DOI: | 10.1021/la401562t |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0097_Surface_Stability_of_Pt3Ni_Langmuir_2013.pdf |
451.
Kaghazchi,
Payam;
Jacob,
Timo;
Chen,
Wenhua;
Bartynski,
Robert A.
Theoretical and experimental studies of hydrogen adsorption and desorption on Ir surfaces
Physical Chemistry Chemical Physics, 15 (31) :12815
2013
Publisher: Royal Society of Chemistry (RSC)
Theoretical and experimental studies of hydrogen adsorption and desorption on Ir surfaces
Physical Chemistry Chemical Physics, 15 (31) :12815
2013
Publisher: Royal Society of Chemistry (RSC)
| DOI: | 10.1039/c3cp51769a |
| File: | https://doi.org/10.1039%2Fc3cp51769a |
450.
Theoretical Modeling of the Functionalization of Electrode Surfaces with Organic Molecules
Chem. Soc. Rev.
2013
449.
Okube,
Maki;
Petrykin,
Valery;
Mueller,
Jonathan E.;
Fantauzzi,
Donato;
Krtil,
Petr;
Jacob,
Timo
Topologically Sensitive Surface Segregations of Au-Pd Alloys in Electrocatalytic Hydrogen Evolution
ChemElectroChem, 1 (1) :207—212
December 2013
Publisher: Wiley
Topologically Sensitive Surface Segregations of Au-Pd Alloys in Electrocatalytic Hydrogen Evolution
ChemElectroChem, 1 (1) :207—212
December 2013
Publisher: Wiley
| DOI: | 10.1002/celc.201300112 |
| File: | https://doi.org/10.1002%2Fcelc.201300112 |
2012
448.
Holze,
Rudolf;
Jacob,
Timo;
Schunke,
S.;
Neudecker,
P.;
Willbold,
D.
Elektrochemie: Mehr als Lithiumionenbatterien
Nachrichten aus der Chemie, 60 (3) :313—318
March 2012
Publisher: GdCh — Gesellschaft deutscher Chemiker
Elektrochemie: Mehr als Lithiumionenbatterien
Nachrichten aus der Chemie, 60 (3) :313—318
March 2012
Publisher: GdCh — Gesellschaft deutscher Chemiker
447.
Mesgar,
Mostafa;
Kaghazchi,
Payam;
Jacob,
Timo;
Ibach,
Harald;
Luque,
Noelia B.;
Schmickler,
Wolfgang
Chlorine-Enhanced Surface Mobility of Au(100)
ChemPhysChem, 14 (1) :233—236
October 2012
Publisher: Wiley
Chlorine-Enhanced Surface Mobility of Au(100)
ChemPhysChem, 14 (1) :233—236
October 2012
Publisher: Wiley
| DOI: | 10.1002/cphc.201200621 |
| File: | https://doi.org/10.1002%2Fcphc.201200621 |