Publications - Articles
2016
457.
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 |
| 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.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0135_QMMM_JTheoCompChem.pdf |
454.
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,
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.
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,
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.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0134_Au_stepline_tension_ElectrochimActa.pdf |
451.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0130_ReaxFF_Pt_Oxide_ChemPhysChem.pdf |
450.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0131_Ir_spherical_particles_Electrocatalysis.pdf |
449.
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,
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.
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,
Mar.
2015.
Springer.
| DOI: | 10.1007/s12678-014-0220-3 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0128_CER_RuO2_Electrocatalysis.pdf |
447.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0129_RuO2_TiO2_JPhysChemC.pdf |
446.
M. Metzler,
A. Thorwart,
S. Zeller,
T. Diemant,
R. J. Behm and
T. Jacob,
"Electroless deposition of Au/Pt/Pd nanoparticles on p-Si(1 1 1) for the light-induced hydrogen evolution reaction",
Catalysis Today,
no. 244,
pp. 3 - 9,
2015.
Elsevier B.V..
| DOI: | 10.1016/j.cattod.2014.10.026 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/123_AuPtPd_Photocatalysis_CatalToday.pdf |
445.
M. Al-Shakran,
L. A. Kibler and
T. Jacob,
"Homoepitaxial electrodeposition on reconstructed and unreconstructed Au(100): An in-situ STM study",
Surface Science,
vol. 631,
pp. 130 - 134,
2015.
Elsevier B.V..
| DOI: | 10.1016/j.susc.2014.08.001 |
| File: | Articles |
444.
K. S. Exner,
J. Anton,
T. Jacob and
H. Over,
"Ligand Effects and Their Impact on Electrocatalytic Processes Exemplified with the Oxygen Evolution Reaction (OER) on RuO2(110",
ChemElectroChem,
vol. 2 (5),
2015.
Wiley VCH.
| DOI: | 10.1002/celc.201402430 |
443.
D. Fantauzzi,
T. Zhu,
J. E. Mueller,
E. J. M. Hensen,
T. Jacob and
I. A. W. Filot,
"Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface",
Catalysis Letters,
vol. 145,
no. 1,
pp. 451-457,
2015.
Springer Science+Business Media.
| DOI: | 10.1007/s10562-014-1448-5 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0124_ORR_Microkinetics_CatalLett.pdf |
442.
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 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0125_Pd_O_particles_PCCP.pdf |
441.
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 |
| File: | Articles |
2014
440.
D. Fantauzzi,
J. Bandlow,
L. Sabo,
T. Jacob,
J. E. Mueller and
A. C. T. van Duin,
"Development of a ReaxFF potential for Pt–O systems describing the energetics and dynamics of Pt-oxide formation",
Physical Chemistry Chemical Physics,
vol. 16,
pp. 23118-23133,
Sep.
2014.
Royal Society of Chemistry.
| DOI: | 10.1039/c4cp03111c |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0120_Dev_of_a_ReaxFF_Pot_for_Pt-O_Syst_Descr__Energ_and_Dyn_of_Pt-oxide_Formation_Phy_Chem_Chem_Phy_2014.pdf |
439.
T. Jacob and
L. Sabo,
"Grundlagen Elektrochemischer Grenzschichten,",
Bunsen-Magazin,
vol. 6,
pp. 260—267,
Jun.
2014.
Deutsche Bunsen-Gesellschaft.
| File: | Publications |
438.
E. Völker,
F. J. Williams,
T. Jacob and
D. J. Schiffrin,
"ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys",
Journal of Alloys and Compounds,
vol. 586,
pp. 475—478,
Feb.
2014.
Elsevier BV.
| DOI: | 10.1016/j.jallcom.2013.10.119 |
| File: | https://doi.org/10.1016%2Fj.jallcom.2013.10.119 |
437.
T. Jacob,
L. A. Kibler,
J. E. Mueller and
P. Krtil,
"Bimetallic Alloys in Action: Dynamic Atomistic Motifs for Electrochemistry and Catalysis",
Phys. Chem. Chem. Phys.,
vol. 16,
pp. 15029–15042,
2014.
| DOI: | 10.1039/C4CP01591F |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0114_Bimetallic_Alloys_in_action_PhysChemChemPhys_2014.pdf |
436.
T. Jacob,
J. Anton,
K. S. Exner and
H. Over,
"Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study – Pourbaix
Diagrams",
Electrochim. Acta,
vol. 120,
pp. 460–466,
2014.
| DOI: | 10.1016/j.electacta.2013.11.027 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0107_Chlorine_Evolution_Electrochimica_Acta_2014.pdf |
435.
K. S. Exner,
J. Anton,
T. Jacob and
H. Over,
"Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts",
Angew. Chemie,
no. 126,
pp. 11212 - 11215,
2014.
Wiley-VCH.
| DOI: | 10.1002/ange.201406112 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116d_Controlling_Selectivity_Angew_Chem_2014.pdf |
434.
K. S. Exner,
H. Over,
J. Anton and
T. Jacob,
"Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts",
Angew. Chemie Int. Ed.,
no. 53,
pp. 11032 - 11035,
2014.
Wiley -VCH.
| DOI: | 10.1002/anie.201406112 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116e_Controlling_Selectivity_Angew_Chem_2014.pdf |
433.
B. Andriyevsky,
K. Doll and
T. Jacob,
"Electronic and transport properties of LiCoO$łess$sub$\greater$2$łess$/sub$\greater$",
Phys. Chem. Chem. Phys.,
vol. 16,
no. 42,
pp. 23412—23420,
2014.
Royal Society of Chemistry (RSC).
| DOI: | 10.1039/c4cp03052d |
| File: | https://doi.org/10.1039%2Fc4cp03052d |