Publications - Articles
2010
362.
V. Pershina,
A. Borschevsky,
J. Anton and
T. Jacob,
"Theoretical predictions of trends in spectroscopic properties of gold containing dimers of the 6p and 7p elements and their adsorption on gold",
The Journal of Chemical Physics,
vol. 133,
no. 10,
pp. 104304,
Sep.
2010.
AIP Publishing.
| DOI: | 10.1063/1.3476470 |
| File: | https://doi.org/10.1063%2F1.3476470 |
361.
J. A. Keith,
G. Jerkiewicz and
T. Jacob,
"Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)",
ChemPhysChem,
vol. 11,
no. 13,
pp. 2779—2794,
Aug.
2010.
Wiley.
| DOI: | 10.1002/cphc.201000286 |
| File: | https://doi.org/10.1002%2Fcphc.201000286 |
360.
W. Chen,
Q. Shen,
R. A. Bartynski,
P. Kaghazchi and
T. Jacob,
"Reduction of NO by CO on Unsupported Ir: Bridging the Materials Gap",
ChemPhysChem,
vol. 11,
no. 12,
pp. 2515—2520,
Jul.
2010.
Wiley.
| DOI: | 10.1002/cphc.201000254 |
| File: | https://doi.org/10.1002%2Fcphc.201000254 |
359.
J. A. Keith,
D. Fantauzzi,
T. Jacob and
A. C. T. Duin,
"Reactive forcefield for simulating gold surfaces and nanoparticles",
Physical Review B,
vol. 81,
no. 23,
pp. 235404,
Jun.
2010.
American Physical Society (APS).
| DOI: | 10.1103/physrevb.81.235404 |
| File: | https://doi.org/10.1103%2Fphysrevb.81.235404 |
358.
K. Pötting,
W. Schmickler and
T. Jacob,
"Self-Diffusion on Au(100): A Density Functional Theory Study",
ChemPhysChem,
vol. 11,
no. 7,
pp. 1395—1404,
May
2010.
Wiley.
| DOI: | 10.1002/cphc.200900807 |
| File: | https://doi.org/10.1002%2Fcphc.200900807 |
357.
V. Pershina,
A. Borschevsky,
J. Anton and
T. Jacob,
"Theoretical predictions of trends in spectroscopic properties of homonuclear dimers and volatility of the 7p elements",
The Journal of Chemical Physics,
vol. 132,
no. 19,
pp. 194314,
May
2010.
AIP Publishing.
| DOI: | 10.1063/1.3425996 |
| File: | https://doi.org/10.1063%2F1.3425996 |
356.
P. Kaghazchi and
T. Jacob,
"Oxygen-induced reconstruction of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mtext$\greater$Re$łess$/mml:mtext$\greater$$łess$mml:mrow$\greater$$łess$mml:mo$\greater$($łess$/mml:mo$\greater$$łess$mml:mrow$\greater$$łess$mml:mn$\greater$10$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$0$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$studied by density functional theory",
Physical Review B,
vol. 81,
no. 7,
Feb.
2010.
American Physical Society (APS).
| DOI: | 10.1103/physrevb.81.075431 |
| File: | https://doi.org/10.1103%2Fphysrevb.81.075431 |
355.
T. Jacob and
J. A. Keith,
"Atomic-level elucidation of the initial stages of self-assembled monolayer metallization",
Chem. Eur. J. (Very Important Paper),
vol. 16,
pp. 12381 - 12386,
2010.
| DOI: | 10.1002/chem.201001396 |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChem_ORR_2010.pdf |
354.
K. Joshi,
A. C. T. Duin and
T. Jacob,
"Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces",
Journal of Materials Chemistry,
vol. 20,
no. 46,
pp. 10431,
2010.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/c0jm01556c |
| File: | https://doi.org/10.1039%2Fc0jm01556c |
353.
D. M. Kolb,
M. Manolova,
J. Gajdzik,
J. Lenz,
H. Natter,
G. -. Kohring,
F. Giffhorn and
R. Hempelmann,
"Enzyme immobilisation on self-organised nanopatterned electrode surfaces",
Phys. Chem. Chem. Phys.,
vol. 12,
pp. 12604-12607,
2010.
352.
D. M. Kolb,
H. -. Boyen,
M. Metzler,
F. Eberle,
M. Saitner and
P. Wagner,
"Metallization of ultra-thin, non-thiol SAMs with flat-lying molecular units:
Pd on 1,4-dicyanobenzene
",
ChemPhysChem.,
vol. 11,
pp. 2114-2117,
2010.
351.
P. Kaghazchi,
D. Fantauzzi,
J. Anton and
T. Jacob,
"Nanoscale-faceting of metal surfaces induced by adsorbates",
Physical Chemistry Chemical Physics,
vol. 12,
no. 31,
pp. 8669,
2010.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/c000766h |
| File: | https://doi.org/10.1039%2Fc000766h |
350.
T. Jacob,
J. Anton,
W. Gao and
J. A. Keith,
"Oxidation of Formic Acid on Pt(111) surface in gas phase",
Dalton Trans. (special issue),
vol. 39,
pp. 8450-8456,
2010.
| DOI: | 10.1039/C0DT00404A |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/DaltonTrans_39_8450_2010.pdf |
349.
T. Jacob and
P. Kaghazchi,
"Oxygen-Induced Reconstruction of Re(1010) studied by Density Functional Theory",
Phys. Rev. B,
vol. 81(7),
pp. 075431,
2010.
| DOI: | 10.1103/physrevb.81.075431 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/PhysRevB_81_075431_2010.pdf |
348.
T. Jacob,
W. Schmickler and
K. Pötting,
"Self-Diffusion on Au(100) - A Density Functional Theory Study",
Chem. Phys. Chem. (special issue),
vol. 11,
pp. 1395-1404,
2010.
| DOI: | 10.1002/cphc.200900807 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/CPC_Au_diffusion_2010.pdf |
347.
D. M. Kolb,
T. Pajkossy and
M. Gnahm,
"The interface between Au(111) and an ionic liquid",
Electrochim. Acta,
vol. 55,
pp. 6212-6217,
2010.
346.
D. M. Kolb,
H. -. Boyen,
M. Kayser,
D. Mayer,
A. Wirth,
F. Eberle and
M. Saitner,
"The metallization of organic surfaces: Pd on thiazole",
Langmuir,
vol. 55,
pp. 4738-4742,
2010.
345.
T. Jacob,
J. A. Keith and
G. Jerkiewicz,
"Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111) Electrodes",
Chem. Phys. Chem.,
vol. 11,
pp. 2779-2794,
2010.
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/ChemPhysChem_11_2779_2010.pdf |
344.
T. Jacob and
J. A. Keith,
"Theoretical Studies of Pd Metal Deposition on the √3×√3 4-Mercaptopyridine Self-Assembled Monolayer",
Electrochim. Acta (specia issue),
vol. 55,
pp. 8258-8262,
2010.
| DOI: | 10.1016/j.electacta.2010.04.027 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/EActa_55_8258_2010.pdf |
343.
T. Jacob and
J. A. Keith,
"Theoretische Untersuchungen zu potentialabhaengigen und konkurrierenden Mechanismen der elektrokatalytischen Sauerstoffreduktion an Pt(111)",
Angew. Chem.,
vol. 122,
pp. 9711 - 9716,
2010.
| DOI: | 10.1002/ange.201004794 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/AngewChem_122_9711_2010.pdf |
2009
342.
I. Janowska,
O. Ersen,
T. Jacob,
P. Vennégues,
D. Bégin,
M. Ledoux and
C. Pham-Huu,
"Catalytic unzipping of carbon nanotubes to few-layer graphene sheets under microwaves irradiation",
Applied Catalysis A: General,
vol. 371,
no. 1-2,
pp. 22—30,
Dec.
2009.
Elsevier BV.
| DOI: | 10.1016/j.apcata.2009.09.013 |
| File: | https://doi.org/10.1016%2Fj.apcata.2009.09.013 |
341.
W. Chen,
A. L. Stottlemyer,
J. G. Chen,
P. Kaghazchi,
T. Jacob,
T. E. Madey and
R. A. Bartynski,
"Adsorption and decomposition of NO on O-covered planar and faceted Ir(2 1 0)",
Surface Science,
vol. 603,
no. 20,
pp. 3136—3144,
Oct.
2009.
Elsevier BV.
| DOI: | 10.1016/j.susc.2009.08.027 |
| File: | https://doi.org/10.1016%2Fj.susc.2009.08.027 |
340.
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 |
| File: | https://doi.org/10.1063%2F1.3212449 |
339.
P. Kaghazchi,
T. Jacob,
H. Wang,
W. Chen and
T. E. Madey,
"First-principles studies on adsorbate-induced faceting of$łess$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"$\greater$$łess$mml:mrow$\greater$$łess$mml:mtext$\greater$Re$łess$/mml:mtext$\greater$$łess$mml:mrow$\greater$$łess$mml:mo$\greater$($łess$/mml:mo$\greater$$łess$mml:mrow$\greater$$łess$mml:mn$\greater$11$łess$/mml:mn$\greater$$łess$mml:mover accent="true"$\greater$$łess$mml:mn$\greater$2$łess$/mml:mn$\greater$$łess$mml:mo stretchy="false"$\greater$\textasciimacron$łess$/mml:mo$\greater$$łess$/mml:mover$\greater$$łess$mml:mn$\greater$1$łess$/mml:mn$\greater$$łess$/mml:mrow$\greater$$łess$mml:mo$\greater$)$łess$/mml:mo$\greater$$łess$/mml:mrow$\greater$$łess$/mml:mrow$\greater$$łess$/mml:math$\greater$",
Physical Review B,
vol. 79,
no. 13,
Apr.
2009.
American Physical Society (APS).
| DOI: | 10.1103/physrevb.79.132107 |
| File: | https://doi.org/10.1103%2Fphysrevb.79.132107 |
338.
D. M. Kolb,
H. -. Boyen,
P. Oelhafen,
M. Manolova,
A. Romanyuk,
J. Kucera,
A. Groß,
F. Eberle,
M. D'Olieslaeger and
M. Saitner,
"A molecular double decker: Extending the limits of current metal-molecule hybrid structures",
Angew. Chem. Int. Ed.,
vol. 49,
pp. 341-345,
2009.