Publikationen - Artikel
2007
297.
T. Jacob,
"Theoretical investigations on the potential-induced formation of Pt-oxide surfaces",
Journal of Electroanalytical Chemistry,
vol. 607,
no. 1-2,
pp. 158—166,
Sep.
2007.
Elsevier BV.
| DOI: | 10.1016/j.jelechem.2007.03.023 |
| Datei: | https://doi.org/10.1016%2Fj.jelechem.2007.03.023 |
296.
S. Piskunov,
E. Spohr,
T. Jacob,
E. A. Kotomin and
D. E. Ellis,
"Electronic and magnetic structure of L" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$La$łess$/mml:mi$\greater$$łess$mml:mn$\greater$0.875$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$Sr$łess$/mml:mi$\greater$$łess$mml:mn$\greater$0.125$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$Mn$łess$/mml:mi$\greater$$łess$mml:msub$\greater$$łess$mml:mi mathvariant="normal"$\greater$O$łess$/mml:mi$\greater$$łess$mml:mn$\greater$3$łess$/mml:mn$\greater$$łess$/mml:msub$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$calculated by means of hybrid density-functional theory",
Physical Review B,
vol. 76,
no. 1,
Jul.
2007.
American Physical Society (APS).
| DOI: | 10.1103/physrevb.76.012410 |
| Datei: | https://doi.org/10.1103%2Fphysrevb.76.012410 |
295.
D. M. Kolb,
H. Meyer,
U. Memmert and
C. E. Täubert,
"Adsorption of the additives MPA, MPSA and SPS onto Cu(111) from sulphuric acid solutions",
J. Electrochem. Soc.,
vol. 154,
pp. D293-D299,
2007.
294.
T. Jacob and
S. Venkatachalam,
"DFT studies on the nature of coadsorbates on SO 4 2- Au(111)studied with DFT",
Z. Phys. Chem.,
vol. 221,
pp. 1393-1406,
2007.
| DOI: | 10.1524/zpch.2007.221.9–10.1393 |
| Datei: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Z_Phys_Chem_221_1393_2007.pdf |
293.
T. Jacob,
F. C. Simeone,
D. M. Kolb and
S. Venkatachalam,
"Die Au(111)/Elektrolyt Grenzschicht: Eine Tunnelspektrospoie und DFT Untersuchung",
Angew. Chem.,
vol. 119,
pp. 9061-9064,
2007.
| DOI: | 10.1002/ange.200702868 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChem_119_9061_2007.pdf |
292.
D. M. Kolb and
T. Pajkossy,
"Double layer capacitance of the platinum group metals in the double layer region",
Electrochem. Comm.,
vol. 9,
pp. 1171-1174,
2007.
291.
T. Jacob,
W. Chen,
T. E. Madey,
P. Kaghazchi,
H. Wang and
A. S. Y. Chan,
"Facet Stability in Oxygen-Induced Nano-Faceting of Re(1231)",
ACS Nano,
vol. 1(5),
pp. 449-455,
2007.
| DOI: | 10.1021/nn700238r |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ACS_Nano_1_449_2007.pdf |
290.
T. Jacob and
P. Kaghazchi,
"First Principle Studies on Clean and Oxygen-adsorbed Ir(110) Surfaces",
Phys. Rev,
vol. 76,
pp. 245425,
2007.
| DOI: | 10.1103/PhysRevB.76.245425 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_76_245425_2007.pdf |
289.
W. Vogel,
P. Kaghazchi,
N. Alonso-Vante and
T. Jacob,
"Genesis of Ru x Se y Nanoparticles by Pyrolysis of Ru4</sub>Se2(CO11A combined X-Ray in situ and DFT Study",
J. Phys. Chem. C,
vol. 111(10,
pp. 3908-3913,
2007.
| DOI: | 10.1021/jp066091p |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/JPhysChemC_111_3908_2007.pdf |
288.
T. Jacob,
M. Blanco and
W. A. Goddard,
"Linking Molecular Switches to Platinum Electrodes Studied with DFT",
The Journal of Physical Chemistry C,
vol. 111,
no. 6,
pp. 2749—2758,
Jan.
2007.
American Chemical Society (ACS).
| DOI: | 10.1021/jp0632844 |
| Datei: | https://doi.org/10.1021%2Fjp0632844 |
287.
D. M. Kolb,
M. Petri and
C. E. Täubert,
"On a new phase transition in the Cu/ Au(111)/ H2SO4 system",
Z. Phys. Chem.,
vol. 221,
pp. 1493-1498,
2007.
286.
T. Jacob,
"Potential-induced lifting of the Au(100)-surface reconstruction studied with DFT",
Electrochimica Acta,
vol. 52,
no. 6,
pp. 2229—2235,
Jan.
2007.
Elsevier BV.
| DOI: | 10.1016/j.electacta.2006.03.114 |
| Datei: | https://doi.org/10.1016%2Fj.electacta.2006.03.114 |
285.
D. M. Kolb,
Y. Dai,
U. Ziener,
C. E. Täubert,
C. Meier and
K. Landfester,
"Potential-induced structure changes of oligopyridine adlayers on Au(111) electrodes",
Langmuir,
vol. 23,
pp. 11059-11062,
2007.
284.
T. Jacob,
F. C. Simeone,
D. M. Kolb and
S. Venkatachalam,
"The Au(111) electrolyte interface: A tunnel spectroscopic and DFT investigation",
Angew. Chem. Int. Ed.,
vol. 46,
pp. 8903-8906,
2007.
| DOI: | 10.1002/anie.200702868 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChemIntEd_46_8903_2007.pdf |
283.
T. Jacob,
F. C. Simeone,
D. M. Kolb and
S. Venkatachalam,
"The Au(111)/electrolyte interface: A tunnel spectroscopic and DFT investigation",
Angew. Chem. Int. Ed.,
vol. 46,
pp. 9061-9064,
2007.
282.
D. M. Kolb,
J. Zegenhagen,
F. U. Renner,
A. Stierle and
H. Dosch,
"The influence of chloride on the initial anodic dissolution of Cu3Au(111)",
Electrochem. Comm,
vol. 9,
pp. 1639-1642,
2007.
281.
D. M. Kolb,
L. A. Kibler and
T. Pajkossy,
"Voltammetry and impedance measurements of Ir(100) electrodes in
aqueous solutions
",
J. Electroanal. Chem.,
vol. 600,
pp. 113-118,
2007.
2006
280.
T. Jacob,
"The Mechanism of Forming H2O from H2 and O2 over a Pt Catalyst via Direct Oxygen Reduction",
Fuel Cells,
vol. 6,
no. 3-4,
pp. 159—181,
Aug.
2006.
Wiley.
| DOI: | 10.1002/fuce.200500201 |
| Datei: | https://doi.org/10.1002%2Ffuce.200500201 |
279.
T. Jacob and
W. A. Goddard,
"Water Formation on Pt and Pt-based Alloys: A Theoretical Description of a Catalytic Reaction",
ChemPhysChem,
vol. 7,
no. 5,
pp. 992—1005,
Mai
2006.
Wiley.
| DOI: | 10.1002/cphc.200500613 |
| Datei: | https://doi.org/10.1002%2Fcphc.200500613 |
278.
W. Goddard,
B. Merinov,
A. Duin,
T. Jacob,
M. Blanco,
V. Molinero,
S. S. Jang and
Y. H. Jang,
"Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes",
Molecular Simulation,
vol. 32,
no. 3-4,
pp. 251—268,
Mä.
2006.
Informa UK Limited.
| DOI: | 10.1080/08927020600599709 |
| Datei: | https://doi.org/10.1080%2F08927020600599709 |
277.
W. Chen,
I. Ermanoski,
T. Jacob and
T. E. Madey,
"Structure Sensitivity in the Oxidation of CO on Ir Surfaces",
Langmuir,
vol. 22,
no. 7,
pp. 3166—3173,
Feb.
2006.
American Chemical Society (ACS).
| DOI: | 10.1021/la053183h |
| Datei: | https://doi.org/10.1021%2Fla053183h |
276.
M. J. Buehler,
A. C. T. van Duin,
T. Jacob,
Y. Jang,
B. V. Merinov and
W. A. Goddard III.,
"Formation of water at a Pt(111) surface: A study using reactive force field (ReaxFF)",
Mat. Res. Soc. Proceedings,
vol. 900E,
pp. O3.9,
2006.
| DOI: | 10.1557/PROC-0900-O03-09 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/MatResSocProc_900E_O3_9_2006.pdf |
275.
D. M. Kolb,
L. A. Kibler,
A. M. El-Aziz,
J. Greeley and
J. K. Nørskov,
"Hydrogen evolution over bimetallic systems: Understanding the trends",
ChemPhysChem,
vol. 7,
pp. 1032-1035,
2006.
274.
D. M. Kolb,
J. Zegenhagen,
F. U. Renner,
T. L. Lee,
A. Stierle and
H. Dosch,
"Initial corrosion observed on the atomic scale",
Nature,
vol. 439,
pp. 707-710,
2006.
273.
"Local density of states effects at the metal-molecule interfaces in a molecular device",
Nature Materials,
vol. 5,
pp. 394-399,
2006.