Prof. Dr. Timo Jacob

Institutsleiter

Raum: 47.1.111
Tel.:  +49 731 50-25400
Timo Jacob


Briefanschrift:

Universität Ulm
Institut für Elektrochemie
Herrn Prof. Dr. Timo Jacob
89069 Ulm

Weiterführende Informationen

  • CV

2007

Artikel:

33.
pdf
Piskunov, S.; Spohr, E.; Jacob, T.; Kotomin, E.A. und Ellis, D.E.
Electronic and magnetic structure of La0.875Sr0.125MnO3 calculated by means of hybrid density functional theory
Phys. Rev. B, 76:012410
2007
32.
pdf
Jacob, T.
Theoretical Investigations Potential-Induced Formation of Pt-Oxide Surfaces
J. Electroanal. Chem., 607:158-166
2007
31.
pdf
Jacob, T.; Blanco, M. und Goddard III., W.A.
Linking Molecular Switches to Pt-Electrodes studied with DFT
J. Phys. Chem. C, 111(6):2749-2758
2007
30.
pdf
Vogel, W.; Kaghazchi, P.; Alonso-Vante, N. und Jacob, T.
Genesis of RuxSey Nanoparticles by Pyrolysis of Ru4Se2(CO)11 An X-Ray in situ and DFT Study
J. Phys. Chem. C, 111(10:3908-3913
2007
29.
pdf
Jacob, T.
Potential-Induced Lifting of the Au(100)-Surface Reconstruction studied with DFT
Electrochim. Acta,, 52(6):2229-2235
2007

2006

Artikel:

28.
pdf
Jacob, T. und Goddard III., W.A.
Water Formation on Pt and Pt-based Alloys: A Theoretical Description of a Catalytic Reaction
Chem. Phys. Chem., 7, :992-1005
2006
27.
pdf
Goddard III., W.A.; Merinov, B.V.; van Duin, A.C.T.; Jacob, T.; Blanco, M.; Molinero, V.; Jang, S.S. und Jang, Y.H.
Multi-Paradigm Multi-Scale Simulations for Fuel Cell Catalysts and Membranes
Molecular Simulation, 32(3-4):251-268
2006
26.
pdf
Buehler, M.J.; van Duin, A.C.T.; Jacob, T.; Jang, Y.; Merinov, B.V. und Goddard III., W.A.
Formation of water at a Pt(111) surface: A study using reactive force field (ReaxFF)
Mat. Res. Soc. Proceedings, 900E:O3.9
2006
25.
pdf
Chen, W.; Ermanoski, I.; Madey, T.E. und Jacob, T.
Structure Sensitivity in Oxidation of Co on Ir surfaces
Langmuir, 22:3166-3173
2006
24.
pdf
Jacob, T.
The Mechanism of Forming H2O from H2 and O2 over a Pt Catalyst via Direct Oxygen Reduction
Fuel Cells, 6(3-4):159-181
2006

Beiträge zu Büchern:

23.
pdf
Pötting, K.; Schmickler, W. und Jacob, T.
Theoretical Investigation on the Self-Diffusion on Au(100)
Herausgeber: Springer-Verlag GmBH, Heidelberg, Germany
2006

2005

Artikel:

22.
pdf
Jacob, T. und Goddard III., W.A.
The Chemisorption of (CHx and C2Hy) Hydrocarbons on Pt(111) clusters and surfaces from DFT Studies
Phys. Chem. B, 109(1):297-311
2005

2004

Artikel:

21.
pdf
Jacob, T. und Goddard III., W.A.
Agostic Interactions and Dissociation in the First Layer of Water on Pt(111)
J. Am. Chem. Soc., 126(30):9360-9368
2004
20.
pdf
Jacob, T.; Blanco, M. und Goddard III., W.A.
A New Alligator-Clip Compound for Molecular Electronics
Chem. Phys. Lett., 390(4-6):352-257
2004
19.
pdf
Jacob, T. und Goddard III., W.A.
Adsorption of atomic H and O on the Pt/Ni(111) surface of Pt3Ni Alloys
J. Phys. Chem. B, 108:8311-8323
2004
18.
pdf
Jacob, T.; Merinov, B.V. und Goddard III., W.A.
Chemisorption of Atomic Oxygen on Pt(111) and Pt/Ni(111) Surfaces
Chem. Phys. Lett., 385(5-6):374-377
2004

2003

Artikel:

17.
pdf
Jacob, T.; Muller, R.P. und Goddard III., W.A.
Chemisorption of atomic oxygen on Pt(111) from DFT studies of Pt-clusters
J. Phys. Chem. B, 107 (35):9465-9576
2003
16.
pdf
Jacob, T.; Bastug, T.; Anton, J.; Sarpe-Tudoran, C.; Sepp, W.-D. und Fricke, B.
Embedded cluster approach to simulate single atom adsorption on surfaces: Cu on Cu surface
Surf. Sci., 536(1-3):45-54
2003
15.
pdf
Sarpe-Tudoran, C.; Pershina, V.; Fricke, B.; Anton, J.; Sepp, W.-D. und Jacob, T.
Adsorption of superheavy elements on metal surfaces
Eur. Phys. J. D, 24:65-67
2003
14.
pdf
Jacob, T.; Goddard III., W.A.; Anton, J.; Sarpe-Tudoran, C. und Fricke, B.
Embedding Method to Simulate Single Atom Adsorptions: Cu on Cu(100)
Eur. Phys. J. D, 24:61-64
2003
13.
pdf
Martin, D.; Jacob, T.; Stietz, F.; Fricke, B. und Träger, F.
Site-selective, resonant photochemical desorption of metal atoms with laser light: manipulation of metal surfaces on the atomic scale
Surf. Sci., 526(1-2):L151-L157
2003

2002

Artikel:

12.
pdf
Jacob, T.; Martin, D.; Stietz, F.; Träger, F. und Fricke, B.
Resonant Laser-induced Desorption of Metal Atoms: A Fully Relativistic Density Functional Theory Study
Phys. Rev. B, 66:233409
2002
11.
pdf
Anton, J.; Jacob, T.; Fricke, B. und Engel, E.
Relativistic density functional calculations for Pt2
Phys. Rev. Lett., 89(21):213001
2002
10.
pdf
Jacob, T.; Pershina, V.; Bastug, T.; Jacob, T.; Fricke, B. und Varga, S.
Intermetallic compounds of the heaviest elements: the electronic structure and bonding of dimers of element 112 and its homolog, Hg
Chem. Phys. Lett., 365(1-2):176-183
2002
9.
pdf
Jacob, T.; Anton, J.; Fritzsche, S.; Sepp, W.-D. und Fricke, B.
Cluster size convergent full relativistic density-functional calculations of single atom adsorption
Phys. Lett. A, 300:71-75
2002