2017
525.
T. Jacob,
A. C. T. van Duin,
D. Fantauzzi,
C. Papp,
H. -. Steinrück,
J. E. Mueller,
S. K. Calderón,
M. Grabau and
T. P. Senftle,
"Growth of Stable Surface Oxides on Pt(111) at Near-Ambient
Pressures",
Angewandte Chemie,
vol. 129,
pp. 2638 –2642,
2017.
Wiley-VCH.
| DOI: | 10.1002/ange.201609317 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0148d_Pt_surf_oxides_ACIE.pdf |
524.
T. Jacob,
A. C. T. van Duin,
D. Fantauzzi,
C. Papp,
H. -. Steinrück,
J. E. Mueller,
S. K. Calderón,
M. Grabau and
T. P. Senftle,
"Growth of Stable Surface Oxides on Pt(111) at Near-Ambient
Pressures",
Angewandte Chemie,
vol. 56,
pp. 2594 –2598,
2017.
Wiley-VCH.
| DOI: | 10.1002/anie.201609317 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0148e_Pt_surf_oxides_ACIE.pdf |
2016
523.
J. E. Mueller,
J. Plöger,
T. Jacob and
J. Anton,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0143_IL_on_Au_TopCatal.pdf |
522.
C. A. Berger,
M. Arkhipova,
G. Maas and
T. Jacob,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0144_Dy_Deposition_Nanoscale.pdf |
521.
M. Al-Shakran,
L. A. Kibler,
T. Jacob,
G. L. Beltramo and
M. Giesen,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0139_Step_diffusivity_Part-I_SurfSci.pdf |
520.
C. A. Berger,
M. Arkhipova,
A. Farkas,
G. Maas and
T. Jacob,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0138_Ti_deposition_from_IL_PCCP.pdf |
519.
C. Müller,
K. Németh,
S. Vesztergom,
T. Pajkossy and
T. Jacob,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0136_BMIPF6_HOPG_PCCP.pdf |
518.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141e_Photo_HER_on_Mn4V4_ACIE.pdf |
517.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141d_Photo_HER_on_Mn4V4_ACIE.pdf |
516.
C. Müller,
S. Vesztergom,
T. Pajkossy and
T. Jacob,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0137_IL_Immersion_ElectrochimActa.pdf |
515.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142e_CER_Kinetik_ACIE.pdf |
514.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142d_CER_Kinetik_ACIE.pdf |
513.
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 |
| Datei: | http://dx.doi.org/10.1039/C5CP07853A |
2015
512.
K. Doll and
T. Jacob,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0135_QMMM_JTheoCompChem.pdf |
511.
W. Wei,
Y. Dai,
Q. Sun,
S. Han,
N. Yin,
B. Huang and
T. Jacob,
"Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures
",
Phys. Chem. Chem. Phys.,
vol. 17,
pp. 29380 - 29386,
Okt.
2015.
Royal Society of Chemistry.
| DOI: | 10.1039/c5cp04861c |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0132_2D_TM_Dichalcogenides_PCCP.pdf |
510.
C. C. W. Verlackt,
E. C. Neyts,
T. Jacob,
D. Fantauzzi,
M. Golkaram,
Y. -. Shin,
A. C. T. van Duin and
A. Bogaerts,
"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,
Okt.
2015.
IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.
| DOI: | 10.1088/1367-2630/17/10/103005 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0133_DNA_ReaxFF_NJPhys.pdf |
509.
M. Al-Shakran,
L. A. Kibler,
T. Jacob,
G. L. Beltramo and
M. Giesen,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0134_Au_stepline_tension_ElectrochimActa.pdf |
508.
D. Fantauzzi,
J. E. Mueller,
L. Sabo,
A. C. T. van Duin and
T. Jacob,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0130_ReaxFF_Pt_Oxide_ChemPhysChem.pdf |
507.
T. Jacob and
L. Sabo,
"Electrochemical Double Layer"
in Chemistry, Molecular Sciences and Chemical Engineering,
Elsevier Inc.,
Apr.
2015,
pp. 1 - 10.
| DOI: | 10.1016/B978-0-12-409547-2.11148-5 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/B9_DoubleLayer_Elsevier_OnlineRefModule.pdf |
506.
Y. Sheasha,
K. A. Soliman,
S. -. Sun,
T. Jacob and
L. A. Kibler,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0131_Ir_spherical_particles_Electrocatalysis.pdf |
505.
W. Wei,
Y. Dai,
B. Huang,
M. -. Whangbo and
T. Jacob,
"Loss of Linear Band Dispersion and Trigonal Structure in Silicene on
Ir(111)",
The Journal of Physical Chemistry Letters,
vol. 6,
pp. 1065−1070,
Mä.
2015.
American Chemical Society.
| DOI: | 10.1021/acs.jpclett.5b00106 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0127_Silicene_Ir111_JPhysChemLett.pdf |
504.
K. S. Exner,
J. Anton,
T. Jacob 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,
Mä.
2015.
Springer.
| DOI: | 10.1007/s12678-014-0220-3 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0128_CER_RuO2_Electrocatalysis.pdf |
503.
C. Müller,
S. Vesztergom,
T. Pajkossy and
T. Jacob,
"The interface between Au(100) and 1-butyl-3-methyl-imidazolium- bis(trifluoromethylsulfonyl)imide",
Journal of Electroanalytical Chemistry,
no. 737,
pp. 218–225,
2015.
Elsevier B.V..
| DOI: | 10.1016/j.jelechem.2014.06.010 |
| Datei: | Artikel |
502.
C. Popa,
T. Zhu,
I. Tranca,
P. Kaghazchi,
T. Jacob and
E. J. M. Hensen,
"Structure of palladium nanoparticles under oxidative conditions",
Phys. Chem. Chem. Phys.,
vol. 17,
pp. 2268 - 2273,
2015.
| DOI: | 10.1039/c4cp01761g |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0125_Pd_O_particles_PCCP.pdf |
501.
W. Wei,
Y. Dai,
B. Huang,
X. Li,
F. Nägele,
H. Over,
M. -. Whangbo and
T. Jacob,
"Density Functional Characterization of the Electronic Structures and
Band Bending of Rutile RuO2/TiO2(110) Heterostructures",
The Journal of Physical Chemistry,
vol. 119,
pp. 12394−12399,
2015.
American Chemical Society.
| DOI: | 10.1021/acs.jpcc.5b01884 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0129_RuO2_TiO2_JPhysChemC.pdf |