Publications - Articles
2008
322.
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 |
| File: | https://doi.org/10.1103%2Fphysreva.78.032518 |
321.
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 |
| File: | https://doi.org/10.1021%2Fnn800210v |
320.
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 |
| File: | https://doi.org/10.1002%2Fange.200800406 |
319.
F. C. Simeone,
D. M. Kolb,
S. Venkatachalam and
T. Jacob,
"Tunneling behavior of electrified interfaces",
Surface Science,
vol. 602,
no. 7,
pp. 1401—1407,
Apr.
2008.
Elsevier BV.
| DOI: | 10.1016/j.susc.2008.01.034 |
| File: | https://doi.org/10.1016%2Fj.susc.2008.01.034 |
318.
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,
Mar.
2008.
Elsevier BV.
| DOI: | 10.1016/j.cplett.2008.02.058 |
| File: | https://doi.org/10.1016%2Fj.cplett.2008.02.058 |
317.
D. M. Kolb and
T. Pajkossy,
"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.
316.
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 |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/FD140_rev.pdf |
315.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/JCP_129_084704_2008.pdf |
314.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ACS_Nano_2_1280_2008.pdf |
313.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PRA_78_032518_2008.pdf |
312.
D. M. Kolb,
J. Zegenhagen,
F. U. Renner,
T. L. Lee,
A. Stierle and
H. Dosch,
"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.
311.
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 |
| File: | https://doi.org/10.1021%2Fjp074806y |
310.
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 |
| File: | https://doi.org/10.1039%2Fb719551f |
309.
D. M. Kolb,
M. Schweizer and
M. Manolova,
"Potential-induced structure transitions in self-assembled monolayers:
II. Propanethiol on Au(100)
",
Surface Sci.,
vol. 602,
pp. 3303-3307,
2008.
308.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/Cyanohydroxypyridines_submitted.pdf |
307.
D. M. Kolb,
L. A. Kibler,
D. Kramer,
M. Smetanin,
R. N. Viswanath,
D. Beckmann,
T. Koch 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.
306.
D. M. Kolb,
J. Tang,
Y. Wei,
X. Zhou,
J. Wang and
B. Mao,
"The creation of nanostructures on a Au(111) electrode by tip-induced iron depositon from an ionic liquid",
Small,
vol. 9,
pp. 1355-1358,
2008.
305.
T. Jacob,
S. Piskunov,
E. Spohr,
E. A. Kotomin,
D. E. Ellis and
E. Heifets,
"The Electronic Structure and Thermodynamic Stability of LaMnO3 and La1-xSrxMnO3 (001) Surfaces: Ab initio Calculations",
Phys. Rev. B (Rapid Communication),
vol. 121406(R),
pp. 78,
2008.
| DOI: | 10.1103/PhysRevB.78.121406 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_45_2008.pdf |
304.
T. Jacob,
F. C. Simeone,
D. M. Kolb and
S. Venkatachalam,
"Tunneling Behaviour of Electrified Interfaces",
Surf. Sci.,
vol. 7,
pp. 1401-1407,
2008.
| DOI: | 10.1016/j.susc.2008.01.034 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/SurfSci_7_1401_2008.pdf |
303.
D. M. Kolb,
L. A. Kibler and
Y. Pluntke,
"Unique activity of Pd monomers: hydrogen evolution at AuPd(111) surface alloys",
Phys. Chem. Chem. Phys.,
vol. 10,
pp. 3684-3688,
2008.
2007
302.
P. Kaghazchi and
T. Jacob,
"First-principles studies on clean and oxygen-adsorbed Ir(110) surfaces",
Physical Review B,
vol. 76,
no. 24,
Dec.
2007.
American Physical Society (APS).
| DOI: | 10.1103/physrevb.76.245425 |
| File: | https://doi.org/10.1103%2Fphysrevb.76.245425 |
301.
F. 2. Simeone,
D. 2. Kolb,
S. Venkatachalam and
T. Jacob,
"Die Au(111)-Elektrolyt-Grenzschicht: eine Tunnelspektroskopie- und DFT-Untersuchung",
Angewandte Chemie,
vol. 119,
no. 46,
pp. 9061—9064,
Nov.
2007.
Wiley.
| DOI: | 10.1002/ange.200702868 |
| File: | https://doi.org/10.1002%2Fange.200702868 |
300.
H. Wang,
A. S. Y. Chan,
W. Chen,
P. Kaghazchi,
T. Jacob and
T. E. Madey,
"Facet Stability in Oxygen-Induced Nanofaceting of Re(123̅1)",
ACS Nano,
vol. 1,
no. 5,
pp. 449—455,
Nov.
2007.
American Chemical Society (ACS).
| DOI: | 10.1021/nn700238r |
| File: | https://doi.org/10.1021%2Fnn700238r |
299.
F. 2. Simeone,
D. 2. Kolb,
S. Venkatachalam and
T. Jacob,
"The Au(111)/Electrolyte Interface: A Tunnel-Spectroscopic and DFT Investigation",
Angewandte Chemie International Edition,
vol. 46,
no. 46,
pp. 8903—8906,
Nov.
2007.
Wiley.
| DOI: | 10.1002/anie.200702868 |
| File: | https://doi.org/10.1002%2Fanie.200702868 |
298.
S. Venkatachalam and
T. Jacob,
"DFT Studies on the Nature of Coadsorbates on SO$łess$sub$\greater$4$łess$/sub$\greater$ $łess$sup$\greater$2-$łess$/sup$\greater$/Au(111)",
Zeitschrift für Physikalische Chemie,
vol. 221,
no. 9-10,
pp. 1393—1406,
Oct.
2007.
Walter de Gruyter GmbH.
| DOI: | 10.1524/zpch.2007.221.9-10.1393 |
| File: | https://doi.org/10.1524%2Fzpch.2007.221.9-10.1393 |