Publications - Articles
2017
472.
T. Jacob,
F. Nägele,
C. Streb,
M. Anjass,
K. Kastner,
M. Ringenberg,
J. F. Boas,
A. M. Bond and
J. Zhang,
"Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochva- lenten molekularen Vanadium(V)-Oxid-Cluster",
Angewandte Chemie,
vol. 129,
pp. 14944 –14947,
2017.
Wiley-VCH.
| DOI: | 10.1002/ange.201706828 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0166d_Fe-cluster_vs_V-cluster_ACIE.pdf |
471.
T. Jacob,
F. Nägele,
C. Streb,
M. Anjass,
K. Kastner,
M. Ringenberg,
J. F. Boas,
A. M. Bond and
J. Zhang,
"Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster",
Angewandte Chemie International Edition,
vol. 56,
pp. 14749 –14752,
2017.
Wiley-VCH.
| DOI: | 10.1002/anie.201706828 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0166e_Fe-cluster_vs_V-cluster_ACIE.pdf |
470.
T. Jacob,
J. E. Mueller,
T. Zhu,
M. Hanauer and
U. Sauter,
"Structural Motifs for Modeling Sulfur-Poly(acrylonitrile) Composite Materials in Sulfur-Lithium Batteries",
CHEMELECTROCHEM,
vol. 4,
pp. 2494 – 2499,
2017.
Wiley-VCH.
| DOI: | 10.1002/celc.201700428 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0158_Li_SPAN_I_ChemElectroChem.pdf |
469.
T. Jacob,
J. E. Mueller,
T. Zhu,
M. Hanauer and
U. Sauter,
"Theoretical Studies on the Charging and Discharging of Poly(acrylonitrile)-Based Lithium-Sulfur Batteries",
CHEMELECTROCHEM,
vol. 4,
pp. 2975 – 2980,
2017.
Wiley-VCH.
| DOI: | 10.1002/celc.201700549 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0165_Li_SPAN_II_ChemElectroChem.pdf |
468.
T. Jacob,
W. Gao,
Q. Jiang,
S. P. Liu and
M. Zhao,
"Theoretical Studies on the CO2 Reduction to CH3OH on Cu(211)",
Electrocatalysis,
vol. 8,
pp. 647–656,
2017.
Springer Science+Business Media.
| DOI: | 10.1007/s12678-017-0403-9 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0161_CO2_on_Cu_Forschergruppe_Electrocatalysis.pdf |
467.
T. Jacob,
L. Wang,
D. Mitoraj,
S. Turner,
O. V. Khavryuchenko,
R. K. Hocking and
R. Beranek,
"Ultrasmall CoO(OH)x Nanoparticles As a Highly Efficient “True” Cocatalyst in Porous Photoanodes for Water Splitting",
ACS Catalysis,
vol. 7,
pp. 4759−4767,
2017.
| DOI: | 10.1021/acscatal.7b01466 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0162_CoOOH_NP_Photoanodes_ACSCatal.pdf |
2016
466.
T. Jacob,
J. Anton,
J. E. Mueller and
J. Plöger,
"Theoretical Studies on the Adsorption of 1-Butyl-3-methyl- imidazolium-hexafluorophosphate (BMI/PF6) on Au(100) Surfaces",
Top Catal,
vol. 59,
pp. 792–801,
Apr.
2016.
published online:
Springer Science+Business Media.
| DOI: | 10.1007/s11244-016-0552-8 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0143_IL_on_Au_TopCatal.pdf |
465.
T. Jacob,
M. Arkhipova,
C. A. Berger and
G. Maas,
"Dysprosium electrodeposition from a hexaalkylguanidinium-based ionic liquid
",
Nanoscale,
vol. 8,
pp. 13997–14003,
Apr.
2016.
The Royal Society of Chemistry.
| DOI: | 10.1039/c6nr01351a |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0144_Dy_Deposition_Nanoscale.pdf |
464.
Y. Dai,
B. Eggers,
M. Metzler,
D. Künzel,
A. Groß,
T. Jacob and
U. Ziener,
"Cyanophenyl vs. pyridine substituent: impact on the adlayer structure and formation on HOPG and Au(111)",
Phys. Chem. Chem. Phys.,
vol. 18,
pp. 6668-6675,
2016.
The Royal Society of Chemistry.
| DOI: | 10.1039/C5CP07853A |
| File: | http://dx.doi.org/10.1039/C5CP07853A |
463.
T. Jacob,
J. Anton,
K. S. Exner and
H. Over,
"Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode",
Angewandte Chemie,
vol. 128,
pp. 7627 –7630,
2016.
Wiley-VCH.
| DOI: | 10.1002/ange.201511804 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142d_CER_Kinetik_ACIE.pdf |
462.
T. Jacob,
J. Anton,
K. S. Exner and
H. Over,
"Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode",
Angewandte Chemie,
vol. 55,
pp. 7501 –7504,
2016.
Wiley-VCH.
| DOI: | 10.1002/anie.201511804 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142e_CER_Kinetik_ACIE.pdf |
461.
T. Jacob,
T. Pajkossy,
C. Müller and
S. Vesztergom,
"Immersion measurements of potential of zero total charge (pztc) of Au (100) in an ionic liquid",
Electrochimica Acta,
vol. 188,
pp. 512–515,
2016.
Elsevier Ltd..
| DOI: | 10.1016/j.electacta.2015.11.141 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0137_IL_Immersion_ElectrochimActa.pdf |
460.
T. Jacob,
C. A. Berger,
J. Forster,
M. K. Goetz,
B. Schwarz,
D. Yücel and
C. Streb,
"Lichtinduzierte Wasseroxidation durch ein molekulares Manganvanadiumoxid",
Angewandte Chemie,
vol. 128,
pp. 6437 –6441,
2016.
Wiley-VCH.
| DOI: | 10.1002/ange.201601799 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141d_Photo_HER_on_Mn4V4_ACIE.pdf |
459.
T. Jacob,
L. A. Kibler,
M. Giesen,
M. Al-Shakran and
G. L. Beltramo,
"Repulsive interactions induced by specific adsorption: Anomalous step diffusivity and inadequacy of nearest-neighbor Ising model
(part I experimental)",
Surface Science,
vol. 651,
pp. 84–93,
2016.
Elsevier.
| DOI: | 10.1016/j.susc.2016.03.021 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0139_Step_diffusivity_Part-I_SurfSci.pdf |
458.
T. Jacob,
T. Pajkossy,
C. Müller,
S. Vesztergom and
K. Németh,
"The interface between HOPG and 1-butyl-3- methyl-imidazolium hexafluorophosphate",
Phys.Chem.Chem.Phys.,
vol. 18,
pp. 916--925,
2016.
Royal Society of Chemistry.
| DOI: | 10.1039/c5cp05406k |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0136_BMIPF6_HOPG_PCCP.pdf |
457.
T. Jacob,
A. Farkas,
M. Arkhipova,
C. A. Berger and
G. Maas,
"Titanium deposition from ionic liquids – appropriate choice of electrolyte and precursor",
Phys.Chem.Chem.Phys.,
vol. 18,
pp. 4961 - 4965,
2016.
Royal Society of Chemistry.
| DOI: | 10.1039/c5cp07152f |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0138_Ti_deposition_from_IL_PCCP.pdf |
456.
T. Jacob,
C. A. Berger,
J. Forster,
M. K. Goetz,
B. Schwarz,
D. Yücel and
C. Streb,
"Visible-Light-Driven Water Oxidation by a Molecular Manganese Vanadium Oxide Cluster",
Angewandte Chemie International Edition,
vol. 55,
pp. 6329 –6333,
2016.
Wiley-VCH.
| DOI: | DOI: 10.1002/anie.201601799 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141e_Photo_HER_on_Mn4V4_ACIE.pdf |
2015
455.
T. Jacob and
K. Doll,
"QM/MM description of periodic systems",
Journal of Theoretical and Computational Chemistry,
vol. 14,
no. 7,
pp. 1 - 14,
Nov.
2015.
World Scienti ̄c Publishing Company.
| DOI: | 10.1142/S0219633615500546 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0135_QMMM_JTheoCompChem.pdf |
454.
T. Jacob,
W. Wei,
Y. Dai,
B. Huang,
S. Han,
Q. Sun and
N. Yin,
"Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures
",
Phys. Chem. Chem. Phys.,
vol. 17,
pp. 29380 - 29386,
Oct.
2015.
Royal Society of Chemistry.
| DOI: | 10.1039/c5cp04861c |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0132_2D_TM_Dichalcogenides_PCCP.pdf |
453.
T. Jacob,
A. C. T. van Duin,
D. Fantauzzi,
A. Bogaerts,
M. Golkaram,
E. C. Neyts,
Y. -. Shin and
C. C. W. Verlackt,
"Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field
",
New Journal of Physics,
vol. 17,
no. 103005,
pp. 1 - 10,
Oct.
2015.
IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.
| DOI: | 10.1088/1367-2630/17/10/103005 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0133_DNA_ReaxFF_NJPhys.pdf |
452.
T. Jacob,
L. A. Kibler,
M. Giesen,
M. Al-Shakran and
G. L. Beltramo,
"Step Dipole Moment and Step Line Tension on Au(100) in Aqueous KBr electrolyte",
Electrochimica Acta,
vol. 180,
pp. 427–434,
Aug.
2015.
Elsevier Ltd..
| DOI: | 10.1016/j.electacta.2015.08.084 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0134_Au_stepline_tension_ElectrochimActa.pdf |
451.
T. Jacob,
A. C. T. van Duin,
D. Fantauzzi,
J. E. Mueller and
L. Sabo,
"Surface Buckling and Subsurface Oxygen: Atomistic
Insights into the Surface Oxidation of Pt(111)",
CHEMPHYSCHEM Articles,
vol. 16,
pp. 2797 – 2802,
Aug.
2015.
Wiley-VCH.
| DOI: | 10.1002/cphc.201500527 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0130_ReaxFF_Pt_Oxide_ChemPhysChem.pdf |
450.
T. Jacob,
K. A. Soliman,
L. A. Kibler,
S. -. Sun and
Y. Sheasha,
"Electrochemical Fabrication of Well- Defined Spherical Iridium Nanoparticles and Electrocatalytic Activity towards Carbon Monoxide Adlayer Oxidation",
Electrocatalysis,
vol. 6,
no. 4,
pp. 365-372,
Apr.
2015.
Springer Science+Business Media.
| DOI: | 10.1007/s12678-015-0252-3 123 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0131_Ir_spherical_particles_Electrocatalysis.pdf |
449.
T. Jacob,
W. Wei,
Y. Dai,
B. Huang and
M. -. Whangbo,
"Loss of Linear Band Dispersion and Trigonal Structure in Silicene on
Ir(111)",
The Journal of Physical Chemistry Letters,
vol. 6,
pp. 1065−1070,
Mar.
2015.
American Chemical Society.
| DOI: | 10.1021/acs.jpclett.5b00106 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0127_Silicene_Ir111_JPhysChemLett.pdf |
448.
T. Jacob,
J. Anton,
K. S. Exner and
H. Over,
"Microscopic Insights into the Chlorine Evolution Reaction on RuO2(110):
a Mechanistic Ab Initio Atomistic Thermodynamics Study",
Electrocatalysis,
vol. 6,
no. 2,
pp. 163-172,
Mar.
2015.
Springer.
| DOI: | 10.1007/s12678-014-0220-3 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0128_CER_RuO2_Electrocatalysis.pdf |