2009
367.
S. Venkatachalam and
T. Jacob,
"Hydrogen adsorption on Pd-containing Au(111) bimetallic surfaces",
Physical Chemistry Chemical Physics,
vol. 11,
no. 17,
pp. 3263,
2009.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/b900250b |
| Datei: | https://doi.org/10.1039%2Fb900250b |
366.
T. Jacob,
"Mulitskalen-Modellierung (elektro-)katalytischer Reaktionen",
Bunsen-Magazin, Deutsche Bunsen-Gesellschaft (DGB),
vol. 6,
2009.
| Datei: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/BunsenMagazin_Aspekte_2009.pdf |
365.
L. A. Kibler,
C. Köntje and
D. M. Kolb,
"Pd deposition onto Au(111) from nitrate solution",
Electrochim. Acta,
vol. 54,
pp. 3830-3834,
2009.
364.
T. Pajkossy and
D. M. Kolb,
"The interfacial capacitance of Rh(111) in HCl solutions",
Electrochim. Acta,
vol. 54,
pp. 3594-3599,
2009.
363.
V. Pershina,
J. Anton and
T. Jacob,
"Theoretical predictions of adsorption behavior of elements 112 and 114 and their homologs Hg and Pb",
The Journal of Chemical Physics,
vol. 131,
no. 8,
pp. 084713,
Aug.
2009.
AIP Publishing.
| DOI: | 10.1063/1.3212449 |
| Datei: | https://doi.org/10.1063%2F1.3212449 |
2008
362.
T. Jacob,
"Ab Initio Atomistic Thermodynamics for Fuel Cell Catalysis"
in Fuel Cell Catalysis,
John Wiley & Sons, Inc.,
2008,
pp. 129—158.
| DOI: | 10.1002/9780470463772.ch5 |
| Datei: | https://doi.org/10.1002%2F9780470463772.ch5 |
361.
T. Pajkossy and
D. M. Kolb,
"Anion-adsorption related frequency-dependent double layer capacitance of the platinum group metals in the double layer region",
Electrochim. Acta,
vol. 53,
pp. 7403-7409,
2008.
360.
T. Jacob,
P. Kaghazchi,
F. C. Simeone,
K. A. Soliman and
L. A. Kibler,
"Bridging the Gap between Nanoparticles and Single-Crystal Surfaces",
Faraday Diss.,
vol. 140,
pp. 69-80,
2008.
| DOI: | 10.1039/B802919A |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/FD140_rev.pdf |
359.
T. Jacob,
A. Wiltner and
C. Linsmeier,
"Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from XPS and DFT analysis",
J. Chem. Phys.,
vol. 129,
pp. 084704,
2008.
| DOI: | 10.1063/1.2971177 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/JCP_129_084704_2008.pdf |
358.
T. T. Järvi,
A. Kuronen,
M. Hakala,
A. C. T. Duin,
W. A. Goddard and
T. Jacob,
"Development of a ReaxFF description for gold",
The European Physical Journal B,
vol. 66,
no. 1,
pp. 75—79,
Sep.
2008.
Springer Science and Business Media LLC.
| DOI: | 10.1140/epjb/e2008-00378-3 |
| Datei: | https://doi.org/10.1140%2Fepjb%2Fe2008-00378-3 |
357.
S. Piskunov,
E. Heifets,
T. Jacob,
E. A. Kotomin,
D. E. Ellis and
E. Spohr,
"Electronic structure and thermodynamic stability of LaMnO3 and La_(1-x)Sr_xMnO_3(001) surfaces: Ab initio calculations",
Physical Review B,
vol. 78,
no. 12,
Sep.
2008.
American Physical Society (APS).
| DOI: | 10.1103/physrevb.78.121406 |
| Datei: | https://doi.org/10.1103%2Fphysrevb.78.121406 |
356.
T. Jacob,
I. Ermanoski,
T. E. Madey,
P. Kaghazchi and
H. Wang,
"First Principle Studies on Oxygen-Induced Faceting of Ir(210)",
ACS Nano,
vol. 2,
pp. 1280-1288,
2008.
| DOI: | 10.1021/nn800210v |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ACS_Nano_2_1280_2008.pdf |
355.
S. Venkatachalam,
P. Kaghazchi,
L. A. Kibler,
D. M. Kolb and
T. Jacob,
"First principles studies of the potential-induced lifting of the Au(100) surface reconstruction",
Chemical Physics Letters,
vol. 455,
no. 1-3,
pp. 47—51,
Mä.
2008.
Elsevier BV.
| DOI: | 10.1016/j.cplett.2008.02.058 |
| Datei: | https://doi.org/10.1016%2Fj.cplett.2008.02.058 |
354.
P. Kaghazchi,
T. Jacob,
I. Ermanoski,
W. Chen and
T. E. Madey,
"First-Principles Studies on Oxygen-Induced Faceting of Ir(210)",
ACS Nano,
vol. 2,
no. 6,
pp. 1280—1288,
Jun.
2008.
American Chemical Society (ACS).
| DOI: | 10.1021/nn800210v |
| Datei: | https://doi.org/10.1021%2Fnn800210v |
353.
V. Pershina,
J. Anton and
T. Jacob,
"Fully relativistic density-functional-theory calculations of the electronic structures of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mi$\greater$M$łess$/mml:mi$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$O$łess$/mml:mi$\greater$$łess$mml:mn$\greater$4$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$($łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mi$\greater$M$łess$/mml:mi$\greater$$łess$mml:mo$\greater$=$łess$/mml:mo$\greater$$łess$mml:mi mathvariant="normal"$\greater$Ru$łess$/mml:mi$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$, Os, and element 108, Hs) and prediction of physisorption",
Physical Review A,
vol. 78,
no. 3,
Sep.
2008.
American Physical Society (APS).
| DOI: | 10.1103/physreva.78.032518 |
| Datei: | https://doi.org/10.1103%2Fphysreva.78.032518 |
352.
T. Jacob,
J. Anton and
V. Pershina,
"Fully-relativistic DFT Calculations of the Electronic Structures of MO4 (M=Ru, Os, and Element 108, Hs) and Prediction of Physisorption",
Phys. Rev. A,
vol. 78,
pp. 032518,
2008.
| DOI: | 10.1103/PhysRevA.78.032518 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PRA_78_032518_2008.pdf |
351.
F. U. Renner,
A. Stierle,
H. Dosch,
D. M. Kolb,
T. L. Lee and
J. Zegenhagen,
"In situ x-ray diffraction study of the initial dealloying and passivation of Cu3Au(111) during anodic dissolution",
Phys. Rev. B,
vol. 77,
pp. 235433-235442,
2008.
350.
C. F. Sanz-Navarro,
P. Åstrand,
D. Chen,
M. Rønning,
A. C. T. Duin,
T. Jacob and
W. A. Goddard,
"Molecular Dynamics Simulations of the Interactions between Platinum Clusters and Carbon Platelets",
The Journal of Physical Chemistry A,
vol. 112,
no. 7,
pp. 1392—1402,
Jan.
2008.
American Chemical Society (ACS).
| DOI: | 10.1021/jp074806y |
| Datei: | https://doi.org/10.1021%2Fjp074806y |
349.
T. E. Madey,
W. Chen,
H. Wang,
P. Kaghazchi and
T. Jacob,
"Nanoscale surface chemistry over faceted substrates: structure, reactivity and nanotemplates",
Chemical Society Reviews,
vol. 37,
no. 10,
pp. 2310,
2008.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/b719551f |
| Datei: | https://doi.org/10.1039%2Fb719551f |
348.
M. Manolova,
M. Schweizer and
D. M. Kolb,
"Potential-induced structure transitions in self-assembled monolayers:
II. Propanethiol on Au(100)
",
Surface Sci.,
vol. 602,
pp. 3303-3307,
2008.
347.
J. Lu,
J. A. Keith,
W. Shen,
M. Schürmann,
H. Preut,
T. Jacob and
H. Arndt,
"Regioselective De Novo Synthesis of Cyanohydroxypyridines with a Concerted Cycloaddition Mechanism",
Journal of the American Chemical Society,
vol. 130,
no. 40,
pp. 13219—13221,
Okt.
2008.
American Chemical Society (ACS).
| DOI: | 10.1021/ja804078v |
| Datei: | https://doi.org/10.1021%2Fja804078v |
346.
T. Jacob,
J. -. Lu,
W. -. Shen,
H. Preut,
H. -. Arndt,
J. A. Keith and
M. Schürmann,
"Regioselective de-novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism",
J. Am. Chem. Soc. (Communication),
vol. 130(40),
pp. 13219-13221,
2008.
| DOI: | 10.1021/ja804078v |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Cyanohydroxypyridines_submitted.pdf |
345.
W. Chen,
T. E. Madey,
A. L. Stottlemyer,
J. G. Chen,
P. Kaghazchi and
T. Jacob,
"Structure Sensitivity in Adsorption and Decomposition of NO on Ir",
The Journal of Physical Chemistry C,
vol. 112,
no. 48,
pp. 19113—19120,
Nov.
2008.
American Chemical Society (ACS).
| DOI: | 10.1021/jp808143p |
| Datei: | https://doi.org/10.1021%2Fjp808143p |
344.
D. S. Su,
T. Jacob,
T. 2. Hansen,
D. Wang,
R. Schlögl,
B. Freitag and
S. Kujawa,
"Surface Chemistry of Ag Particles: Identification of Oxide Species by Aberration-Corrected TEM and by DFT Calculations",
Angewandte Chemie,
vol. 120,
no. 27,
pp. 5083—5086,
Jun.
2008.
Wiley.
| DOI: | 10.1002/ange.200800406 |
| Datei: | https://doi.org/10.1002%2Fange.200800406 |
343.
M. Smetanin,
R. N. Viswanath,
D. Kramer,
D. Beckmann,
T. Koch,
L. A. Kibler,
D. M. Kolb and
J. Weissmüller,
"Surface stress-charge response of a (111)-textured gold electrode under conditions of weak ion adsorption",
Langmuir,
vol. 24,
pp. 8561-8567,
2008.