2015
503.
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,
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 |
502.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0134_Au_stepline_tension_ElectrochimActa.pdf |
501.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0130_ReaxFF_Pt_Oxide_ChemPhysChem.pdf |
500.
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 |
499.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0131_Ir_spherical_particles_Electrocatalysis.pdf |
498.
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,
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 |
497.
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,
Mä.
2015.
Springer.
| DOI: | 10.1007/s12678-014-0220-3 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0128_CER_RuO2_Electrocatalysis.pdf |
496.
T. Jacob,
W. Wei,
Y. Dai,
B. Huang,
H. Over,
M. -. Whangbo,
X. Li and
F. Nägele,
"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 |
495.
T. Jacob,
R. J. Behm,
M. Metzler,
A. Thorwart,
T. Diemant and
S. Zeller,
"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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/123_AuPtPd_Photocatalysis_CatalToday.pdf |
494.
T. Jacob,
L. A. Kibler and
M. Al-Shakran,
"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 |
| Datei: | Artikel |
493.
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 |
492.
T. Jacob,
D. Fantauzzi,
J. E. Mueller,
T. Zhu,
E. J. M. Hensen 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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0124_ORR_Microkinetics_CatalLett.pdf |
491.
T. Jacob,
P. Kaghazchi,
T. Zhu,
E. J. M. Hensen,
C. Popa and
I. Tranca,
"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 |
490.
T. Jacob,
T. Pajkossy,
C. Müller and
S. Vesztergom,
"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 |
2014
489.
T. Jacob,
A. C. T. van Duin,
D. Fantauzzi,
J. Bandlow,
J. E. Mueller and
L. Sabo,
"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 |
| Datei: | /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 |
488.
Y. Dai,
M. Metzler,
T. Jacob,
D. M. Kolb and
U. Ziener,
"Fast vs. Slow: Electrolyte and Potential Dependent Adlayer Switching of an Oligopyridine on Au(111)",
Electrochimica Acta,
vol. 137,
pp. 416—422,
Aug.
2014.
Elsevier BV.
| DOI: | 10.1016/j.electacta.2014.06.046 |
| Datei: | https://doi.org/10.1016%2Fj.electacta.2014.06.046 |
487.
W. Gao,
E. H. Song,
Q. Jiang and
T. Jacob,
"Revealing the Active Intermediates in the Oxidation of Formic Acid on Au and Pt(111)",
Chemistry - A European Journal,
vol. 20,
no. 35,
pp. 11005—11012,
Jul.
2014.
Wiley.
| DOI: | 10.1002/chem.201402737 |
| Datei: | https://doi.org/10.1002%2Fchem.201402737 |
486.
T. Jacob and
L. Sabo,
"Grundlagen Elektrochemischer Grenzschichten,",
Bunsen-Magazin,
vol. 6,
pp. 260—267,
Jun.
2014.
Deutsche Bunsen-Gesellschaft.
| Datei: | Publikationen |
485.
C. Harms,
M. Adam,
K. A. Soliman,
M. Wilhelm,
L. A. Kibler,
T. Jacob and
G. Grathwohl,
"New Electrocatalysts with Pyrolyzed Siloxane Matrix",
Electrocatalysis,
vol. 5,
no. 3,
pp. 301—309,
Apr.
2014.
Springer Science and Business Media LLC.
| DOI: | 10.1007/s12678-014-0190-5 |
| Datei: | https://doi.org/10.1007%2Fs12678-014-0190-5 |
484.
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 |
| Datei: | https://doi.org/10.1016%2Fj.jallcom.2013.10.119 |
483.
T. Jacob and
J. A. Keith,
"A Guidebook Through the Zoo of First Principles Calculations on Oxygen Reduction",
Chem. Rev.,
2014.
482.
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 |
| Datei: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0114_Bimetallic_Alloys_in_action_PhysChemChemPhys_2014.pdf |
481.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0107_Chlorine_Evolution_Electrochimica_Acta_2014.pdf |
480.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116d_Controlling_Selectivity_Angew_Chem_2014.pdf |
479.
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 |
| Datei: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116e_Controlling_Selectivity_Angew_Chem_2014.pdf |