2013

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
DOI:10.1063/1.4824078
File:pdf/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
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)
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
DOI:https://doi.org/10.1021/ja309734u
File:pdf/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)
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)
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
File:pdf/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
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
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)
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
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)
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
DOI:10.1103/PhysRevB.87.085202
File:pdf/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)
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)
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
DOI:10.1021/la401562t
File:pdf/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)
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
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
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
DOI:10.1002/cphc.201200621
File:https://doi.org/10.1002%2Fcphc.201200621
446.
Gao, Wang; Mueller, Jonathan E.; Jiang, Qing; Jacob, Timo
Die Rolle von koadsorbiertem CO und OH bei der Elektrooxidation von Ameisensäure auf Pt(111)
Angewandte Chemie, 124 (37) :9584—9589
August 2012
Publisher: Wiley
DOI:10.1002/ange.201203078
File:https://doi.org/10.1002%2Fange.201203078
445.
Jacob, Timo
Electrocatalysis
In M. Beller, A. Renken, R. A. van Santen, Editor, Catalysis: From Principles to Applications
Page 201—215
Publisher: Wiley-VCH, Weinheim, Germany
2012
201—215
444.
Soliman, K. A.; Kibler, L.A.; Kolb, D. M.
Electrocatalytic Behaviour of Epitaxial Ag(111) Overlayers Electrodeposited onto Noble Metals: Electrooxidation of d-Glucose
Electrocatalysis, 3 :170-175
2012
443.
Saitner, M.; Eberle, F.; Wagner, P.; Baccus, J.; D'Olieslaeger, M.; Kolb, D. M.; Boyen, H.-G.
Impact of functional (terminal) groups onto the electronic structure of metal electrodes in molecular junctions - a photoemission study
J. Phys. Chem., C116 :21810-21815
2012