2014
489.
D. Fantauzzi,
J. Bandlow,
L. Sabo,
T. Jacob,
J. E. Mueller and
A. C. T. van Duin,
"Development of a ReaxFF potential for Pt–O systems describing the energetics and dynamics of Pt-oxide formation",
Physical Chemistry Chemical Physics,
vol. 16,
pp. 23118-23133,
Sep.
2014.
Royal Society of Chemistry.
| DOI: | 10.1039/c4cp03111c |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0120_Dev_of_a_ReaxFF_Pot_for_Pt-O_Syst_Descr__Energ_and_Dyn_of_Pt-oxide_Formation_Phy_Chem_Chem_Phy_2014.pdf |
488.
T. Jacob and
L. Sabo,
"Grundlagen Elektrochemischer Grenzschichten,",
Bunsen-Magazin,
vol. 6,
pp. 260—267,
Jun.
2014.
Deutsche Bunsen-Gesellschaft.
| Datei: | Publikationen |
487.
T. Jacob and
J. A. Keith,
"A Guidebook Through the Zoo of First Principles Calculations on Oxygen Reduction",
Chem. Rev.,
2014.
486.
E. Völker,
F. J. Williams,
T. Jacob and
D. J. Schiffrin,
"ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys",
Journal of Alloys and Compounds,
vol. 586,
pp. 475—478,
Feb.
2014.
Elsevier BV.
| DOI: | 10.1016/j.jallcom.2013.10.119 |
| Datei: | https://doi.org/10.1016%2Fj.jallcom.2013.10.119 |
485.
T. Jacob,
L. A. Kibler,
J. E. Mueller and
P. Krtil,
"Bimetallic Alloys in Action: Dynamic Atomistic Motifs for Electrochemistry and Catalysis",
Phys. Chem. Chem. Phys.,
vol. 16,
pp. 15029–15042,
2014.
| DOI: | 10.1039/C4CP01591F |
| Datei: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0114_Bimetallic_Alloys_in_action_PhysChemChemPhys_2014.pdf |
484.
T. Jacob,
J. Anton,
K. S. Exner and
H. Over,
"Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study – Pourbaix
Diagrams",
Electrochim. Acta,
vol. 120,
pp. 460–466,
2014.
| DOI: | 10.1016/j.electacta.2013.11.027 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0107_Chlorine_Evolution_Electrochimica_Acta_2014.pdf |
483.
K. S. Exner,
J. Anton,
T. Jacob and
H. Over,
"Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts",
Angew. Chemie,
no. 126,
pp. 11212 - 11215,
2014.
Wiley-VCH.
| DOI: | 10.1002/ange.201406112 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116d_Controlling_Selectivity_Angew_Chem_2014.pdf |
482.
K. S. Exner,
H. Over,
J. Anton and
T. Jacob,
"Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts",
Angew. Chemie Int. Ed.,
no. 53,
pp. 11032 - 11035,
2014.
Wiley -VCH.
| DOI: | 10.1002/anie.201406112 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116e_Controlling_Selectivity_Angew_Chem_2014.pdf |
481.
B. Andriyevsky,
K. Doll and
T. Jacob,
"Electronic and transport properties of LiCoO$łess$sub$\greater$2$łess$/sub$\greater$",
Phys. Chem. Chem. Phys.,
vol. 16,
no. 42,
pp. 23412—23420,
2014.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/c4cp03052d |
| Datei: | https://doi.org/10.1039%2Fc4cp03052d |
480.
Y. Dai,
M. Metzler,
T. Jacob,
D. M. Kolb and
U. Ziener,
"Fast vs. Slow: Electrolyte and Potential Dependent Adlayer Switching of an Oligopyridine on Au(111)",
Electrochimica Acta,
vol. 137,
pp. 416—422,
Aug.
2014.
Elsevier BV.
| DOI: | 10.1016/j.electacta.2014.06.046 |
| Datei: | https://doi.org/10.1016%2Fj.electacta.2014.06.046 |
479.
W. Wei and
T. Jacob,
"Many-body effects in semiconducting single-wall silicon nanotubes",
Beilstein Journal of Nanotechnology,
vol. 5,
pp. 19—25,
Jan.
2014.
Beilstein Institut.
| DOI: | 10.3762/bjnano.5.2 |
| Datei: | https://doi.org/10.3762%2Fbjnano.5.2 |
478.
C. Harms,
M. Adam,
K. A. Soliman,
M. Wilhelm,
L. A. Kibler,
T. Jacob and
G. Grathwohl,
"New Electrocatalysts with Pyrolyzed Siloxane Matrix",
Electrocatalysis,
vol. 5,
no. 3,
pp. 301—309,
Apr.
2014.
Springer Science and Business Media LLC.
| DOI: | 10.1007/s12678-014-0190-5 |
| Datei: | https://doi.org/10.1007%2Fs12678-014-0190-5 |
477.
T. Jacob,
W. Chen,
P. Kaghazchi,
H. Wang and
R. A. Bartynski,
"Nitrogen-induced Reconstruction and Faceting of Re(11-21)",
J. Chem. Phys.,
vol. 140,
pp. 024707,
2014.
AIP Publishing.
| DOI: | 10.1063/1.4861046 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0108_Nitrogen_induced_J_Chem_Phys_2014.pdf |
476.
Z. Zhao-Karger,
J. E. Mueller,
X. Zhao,
O. Fuhr,
T. Jacob and
M. Fichtner,
"Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries",
RSC Adv.,
vol. 4,
no. 51,
pp. 26924—26927,
2014.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/c4ra03867c |
| Datei: | https://doi.org/10.1039%2Fc4ra03867c |
475.
T. Jacob,
D. M. Kolb,
K. A. Soliman and
L. A. Kibler,
"Restructuring of Ir(210) electrode surface by potential cycling",
Beilstein J. Nanotechnol.,
vol. 5,
pp. 1349–1356,
2014.
| DOI: | 10.3762/bjnano.5.148 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0112_Restructuring_of_an_Ir_Beilstein_2014.pdf |
474.
W. Gao,
E. H. Song,
Q. Jiang and
T. Jacob,
"Revealing the Active Intermediates in the Oxidation of Formic Acid on Au and Pt(111)",
Chemistry - A European Journal,
vol. 20,
no. 35,
pp. 11005—11012,
Jul.
2014.
Wiley.
| DOI: | 10.1002/chem.201402737 |
| Datei: | https://doi.org/10.1002%2Fchem.201402737 |
473.
T. Jacob,
M. Müller,
S. Choudhury,
K. Gruber,
V. B. Cruz,
B. Fuchsbichler,
S. Koller,
M. Stamm,
L. Ionov and
B. Beckhoff,
"Sulfur X-ray absorption fine structure in porous Li-S cathode films measured under argon atmospheric conditions",
Spectrochim. Acta Part B,
vol. 94–95,
pp. 22–26,
2014.
| DOI: | 10.1016/j.sab.2014.03.001 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0109_Sulfur_X_ray_absorption_J_Spectrochim_ActaPartB_2014.pdf |
472.
R. A. Bartynski,
W. Chen,
T. Jacob,
G. Junno,
P. Kaghazchi,
B. E. Koel,
H. Wang and
X. Yang,
"Theoretical Study of Carbon Adsorption on Re Surfaces: Morphological Instability
",
Catal Lett,
vol. 144,
pp. 1667-1673,
2014.
Springer Science and Business Media.
| DOI: | 10.1007/s10562-014-1324-3 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0117_Theor_Stud_of_Carbon_on_RE_Surfaces_Catal_Lett_2014.pdf |
471.
T. Jacob,
D. Fantauzzi,
J. E. Mueller,
M. Okube,
V. Petrykin and
P. Krtil,
"Topologically sensitive surface segregation of Au-Pd alloys in the electrocatalytic hydrogen evolution",
Chem. Electro. Chem.,
pp. 207 - 212,
2014.
| DOI: | 10.1002/celc.201300112 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/104_Topologically_sensitive_surface_Chem_Electro_Chem_2014.pdf |
2013
470.
R. Verrelli,
J. Hassoun,
A. Farkas,
T. Jacob and
B. Scrosati,
"A new, high performance CuO/LiNi0.5Mn1.5O4 lithium-ion battery",
Journal of Materials Chemistry A,
vol. 1,
no. 48,
pp. 15329,
2013.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/c3ta13960c |
| Datei: | https://doi.org/10.1039%2Fc3ta13960c |
469.
T. Jacob,
J. Bandlow and
A. Comas-Vives,
"Ab initio Study of the Electrochemical H2SO4/Pt(111) Interface",
Phys. Chem. Chem. Phys.,
vol. 15,
pp. 992 – 997,
2013.
| DOI: | 10.1039/c2cp43054a |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0089_Ab_Initio_Study_of_the_Electrochem_H2SO4_PhysChem_2013.pdf |
468.
C. Busó-Rogero,
E. Herrero,
J. Bandlow,
A. Comas-Vives and
T. Jacob,
"CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment",
Physical Chemistry Chemical Physics,
vol. 15,
no. 42,
pp. 18671,
2013.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/c3cp53282h |
| Datei: | https://doi.org/10.1039%2Fc3cp53282h |
467.
W. Gao,
J. E. Mueller,
J. Anton,
Q. Jiang and
T. Jacob,
"Das Wachstum von Nickelclustern an Graphen-Fehlstellen: eine theoretische Studie",
Angewandte Chemie,
vol. 125,
no. 52,
pp. 14487—14491,
Nov.
2013.
Wiley.
| DOI: | 10.1002/ange.201305001 |
| Datei: | https://doi.org/10.1002%2Fange.201305001 |
466.
P. Raijput,
A. Gupta,
B. Detlefs,
D. M. Kolb,
S. Potdar and
J. Zegenhagen,
"Dealloying of CuxAu studied by hard X-ray photoelectron spectroscopy",
J. Electron Spectroscopy and Related Phenomena,
vol. 190,
pp. 289-294,
2013.
465.
W. Wei and
T. Jacob,
"Electronic and optical properties of fluorinated graphene: A many-body perturbation theory study",
Physical Review B,
vol. 87,
no. 11,
pp. 115431,
Mä.
2013.
American Physical Society (APS).
| DOI: | 10.1103/physrevb.87.115431 |
| Datei: | https://doi.org/10.1103%2Fphysrevb.87.115431 |