2015
503.
Jacob,
T.;
van Duin,
A.C.T.;
Fantauzzi,
D.;
Bogaerts,
A.;
Golkaram,
M.;
Neyts,
E. C.;
Shin,
Y.-K.;
Verlackt,
C. C. W.
Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field
New Journal of Physics, 17 (103005) :1 - 10
October 2015
Publisher: IOP Publishing Ltd and Deutsche Physikalische Gesellschaft
Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field
New Journal of Physics, 17 (103005) :1 - 10
October 2015
Publisher: IOP Publishing Ltd and Deutsche Physikalische Gesellschaft
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0133_DNA_ReaxFF_NJPhys.pdf |
502.
Jacob,
T.;
Kibler,
L.A.;
Giesen,
M.;
Al-Shakran,
M.;
Beltramo,
G. L.
Step Dipole Moment and Step Line Tension on Au(100) in Aqueous KBr electrolyte
Electrochimica Acta, 180 :427鈥�434
August 2015
Publisher: Elsevier Ltd.
Step Dipole Moment and Step Line Tension on Au(100) in Aqueous KBr electrolyte
Electrochimica Acta, 180 :427鈥�434
August 2015
Publisher: Elsevier Ltd.
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0134_Au_stepline_tension_ElectrochimActa.pdf |
501.
Jacob,
T.;
van Duin,
A.C.T.;
Fantauzzi,
D.;
Mueller,
J. E.;
Sabo,
L.
Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)
CHEMPHYSCHEM Articles, 16 :2797 鈥� 2802
August 2015
Publisher: Wiley-VCH
Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)
CHEMPHYSCHEM Articles, 16 :2797 鈥� 2802
August 2015
Publisher: Wiley-VCH
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0130_ReaxFF_Pt_Oxide_ChemPhysChem.pdf |
500.
Jacob,
T.;
Sabo,
L.
Electrochemical Double Layer
Page 1 - 10
Publisher: Elsevier Inc.
April 2015
1 - 10
Electrochemical Double Layer
Page 1 - 10
Publisher: Elsevier Inc.
April 2015
1 - 10
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/B9_DoubleLayer_Elsevier_OnlineRefModule.pdf |
499.
Jacob,
T.;
Soliman,
K. A.;
Kibler,
L.A.;
Sun,
S.-G.;
Sheasha,
Y.
Electrochemical Fabrication of Well- Defined Spherical Iridium Nanoparticles and Electrocatalytic Activity towards Carbon Monoxide Adlayer Oxidation
Electrocatalysis, 6 (4) :365-372
April 2015
Publisher: Springer Science+Business Media
ISSN: ISSN 1868-2529
Electrochemical Fabrication of Well- Defined Spherical Iridium Nanoparticles and Electrocatalytic Activity towards Carbon Monoxide Adlayer Oxidation
Electrocatalysis, 6 (4) :365-372
April 2015
Publisher: Springer Science+Business Media
ISSN: ISSN 1868-2529
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0131_Ir_spherical_particles_Electrocatalysis.pdf |
498.
Jacob,
T.;
Wei,
W.;
Dai,
Y.;
Huang,
B.;
Whangbo,
M.-H.
Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)
The Journal of Physical Chemistry Letters, 6 :1065鈭�1070
March 2015
Publisher: American Chemical Society
Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)
The Journal of Physical Chemistry Letters, 6 :1065鈭�1070
March 2015
Publisher: American Chemical Society
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0127_Silicene_Ir111_JPhysChemLett.pdf |
497.
Jacob,
T.;
Anton,
J.;
Exner,
K. S.;
Over,
H.
Microscopic Insights into the Chlorine Evolution Reaction on RuO2(110): a Mechanistic Ab Initio Atomistic Thermodynamics Study
Electrocatalysis, 6 (2) :163-172
March 2015
Publisher: Springer
Microscopic Insights into the Chlorine Evolution Reaction on RuO2(110): a Mechanistic Ab Initio Atomistic Thermodynamics Study
Electrocatalysis, 6 (2) :163-172
March 2015
Publisher: Springer
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0128_CER_RuO2_Electrocatalysis.pdf |
496.
Jacob,
T.;
Wei,
W.;
Dai,
Y.;
Huang,
B.;
Over,
H.;
Whangbo,
M.-H.;
Li,
X.;
N盲gele,
F.
Density Functional Characterization of the Electronic Structures and Band Bending of Rutile RuO2/TiO2(110) Heterostructures
The Journal of Physical Chemistry, 119 :12394鈭�12399
2015
Publisher: American Chemical Society
Density Functional Characterization of the Electronic Structures and Band Bending of Rutile RuO2/TiO2(110) Heterostructures
The Journal of Physical Chemistry, 119 :12394鈭�12399
2015
Publisher: American Chemical Society
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0129_RuO2_TiO2_JPhysChemC.pdf |
495.
Jacob,
T.;
Behm,
R.J.;
Metzler,
M.;
Thorwart,
A.;
Diemant,
T.;
Zeller,
S.
Electroless deposition of Au/Pt/Pd nanoparticles on p-Si(1 1 1) for the light-induced hydrogen evolution reaction
Catalysis Today (244) :3 - 9
2015
Publisher: Elsevier B.V.
Electroless deposition of Au/Pt/Pd nanoparticles on p-Si(1 1 1) for the light-induced hydrogen evolution reaction
Catalysis Today (244) :3 - 9
2015
Publisher: Elsevier B.V.
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/123_AuPtPd_Photocatalysis_CatalToday.pdf |
494.
Jacob,
T.;
Kibler,
L.A.;
Al-Shakran,
M.
Homoepitaxial electrodeposition on reconstructed and unreconstructed Au(100): An in-situ STM study
Surface Science, 631 :130 - 134
2015
Publisher: Elsevier B.V.
Homoepitaxial electrodeposition on reconstructed and unreconstructed Au(100): An in-situ STM study
Surface Science, 631 :130 - 134
2015
Publisher: Elsevier B.V.
| DOI: | |
| File: | Articles |
493.
Exner,
K. S.;
Anton,
Josef;
Jacob,
Timo;
Over,
Herbert
Ligand Effects and Their Impact on Electrocatalytic Processes Exemplified with the Oxygen Evolution Reaction (OER) on RuO2(110
ChemElectroChem, 2 (5)
2015
Publisher: Wiley VCH
Ligand Effects and Their Impact on Electrocatalytic Processes Exemplified with the Oxygen Evolution Reaction (OER) on RuO2(110
ChemElectroChem, 2 (5)
2015
Publisher: Wiley VCH
| DOI: |
492.
Jacob,
T.;
Fantauzzi,
D.;
Mueller,
J. E.;
Zhu,
T.;
Hensen,
E. J. M.;
Filot,
I. A. W.
Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface
Catalysis Letters, 145 (1) :451-457
2015
Publisher: Springer Science+Business Media
Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface
Catalysis Letters, 145 (1) :451-457
2015
Publisher: Springer Science+Business Media
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0124_ORR_Microkinetics_CatalLett.pdf |
491.
Jacob,
T.;
Kaghazchi,
P.;
Zhu,
T.;
Hensen,
E. J. M.;
Popa,
C.;
Tranca,
I.
Structure of palladium nanoparticles under oxidative conditions
Phys. Chem. Chem. Phys., 17 :2268 - 2273
2015
Structure of palladium nanoparticles under oxidative conditions
Phys. Chem. Chem. Phys., 17 :2268 - 2273
2015
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0125_Pd_O_particles_PCCP.pdf |
490.
Jacob,
T.;
Pajkossy,
T.;
M眉ller,
C.;
Vesztergom,
Soma
The interface between Au(100) and 1-butyl-3-methyl-imidazolium- bis(trifluoromethylsulfonyl)imide
Journal of Electroanalytical Chemistry (737) :218鈥�225
2015
Publisher: Elsevier B.V.
The interface between Au(100) and 1-butyl-3-methyl-imidazolium- bis(trifluoromethylsulfonyl)imide
Journal of Electroanalytical Chemistry (737) :218鈥�225
2015
Publisher: Elsevier B.V.
| DOI: | |
| File: | Articles |
2014
489.
Jacob,
T.;
van Duin,
A.C.T.;
Fantauzzi,
D.;
Bandlow,
J.;
Mueller,
J. E.;
Sabo,
L.
Development of a ReaxFF potential for Pt鈥揙 systems describing the energetics and dynamics of Pt-oxide formation
Physical Chemistry Chemical Physics, 16 :23118-23133
September 2014
Publisher: Royal Society of Chemistry
Development of a ReaxFF potential for Pt鈥揙 systems describing the energetics and dynamics of Pt-oxide formation
Physical Chemistry Chemical Physics, 16 :23118-23133
September 2014
Publisher: Royal Society of Chemistry
| DOI: | |
| 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 |
488.
Dai,
Y.;
Metzler,
M.;
Jacob,
T.;
Kolb,
D.M.;
Ziener,
U.
Fast vs. Slow: Electrolyte and Potential Dependent Adlayer Switching of an Oligopyridine on Au(111)
Electrochimica Acta, 137 :416鈥�422
August 2014
Publisher: Elsevier BV
Fast vs. Slow: Electrolyte and Potential Dependent Adlayer Switching of an Oligopyridine on Au(111)
Electrochimica Acta, 137 :416鈥�422
August 2014
Publisher: Elsevier BV
| DOI: | |
| File: |
487.
Gao,
Wang;
Song,
Er Hong;
Jiang,
Qing;
Jacob,
Timo
Revealing the Active Intermediates in the Oxidation of Formic Acid on Au and Pt(111)
Chemistry - A European Journal, 20 (35) :11005鈥�11012
July 2014
Publisher: Wiley
Revealing the Active Intermediates in the Oxidation of Formic Acid on Au and Pt(111)
Chemistry - A European Journal, 20 (35) :11005鈥�11012
July 2014
Publisher: Wiley
| DOI: | |
| File: |
486.
Jacob,
T.;
Sabo,
L.
Grundlagen Elektrochemischer Grenzschichten,
Bunsen-Magazin, 6 :260鈥�267
June 2014
Publisher: Deutsche Bunsen-Gesellschaft
ISSN: 1611-9479
Grundlagen Elektrochemischer Grenzschichten,
Bunsen-Magazin, 6 :260鈥�267
June 2014
Publisher: Deutsche Bunsen-Gesellschaft
ISSN: 1611-9479
| File: | Publications |
485.
Harms,
C.;
Adam,
M.;
Soliman,
K. A.;
Wilhelm,
M.;
Kibler,
L. A.;
Jacob,
T.;
Grathwohl,
G.
New Electrocatalysts with Pyrolyzed Siloxane Matrix
Electrocatalysis, 5 (3) :301鈥�309
April 2014
Publisher: Springer Science and Business Media LLC
New Electrocatalysts with Pyrolyzed Siloxane Matrix
Electrocatalysis, 5 (3) :301鈥�309
April 2014
Publisher: Springer Science and Business Media LLC
| DOI: | |
| File: |
484.
V枚lker,
Edgar;
Williams,
Federico J.;
Jacob,
Timo;
Schiffrin,
David J.
ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
Journal of Alloys and Compounds, 586 :475鈥�478
February 2014
Publisher: Elsevier BV
ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
Journal of Alloys and Compounds, 586 :475鈥�478
February 2014
Publisher: Elsevier BV
| DOI: | |
| File: |
483.
Jacob,
T.;
Keith,
J. A.
A Guidebook Through the Zoo of First Principles Calculations on Oxygen Reduction
Chem. Rev.
2014
A Guidebook Through the Zoo of First Principles Calculations on Oxygen Reduction
Chem. Rev.
2014
482.
Jacob,
T.;
Kibler,
L.A.;
Mueller,
J. E.;
Krtil,
P.
Bimetallic Alloys in Action: Dynamic Atomistic Motifs for Electrochemistry and Catalysis
Phys. Chem. Chem. Phys., 16 :15029鈥�15042
2014
Bimetallic Alloys in Action: Dynamic Atomistic Motifs for Electrochemistry and Catalysis
Phys. Chem. Chem. Phys., 16 :15029鈥�15042
2014
| DOI: | |
| File: |  /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0114_Bimetallic_Alloys_in_action_PhysChemChemPhys_2014.pdf |
481.
Jacob,
T.;
Anton,
J.;
Exner,
K. S.;
Over,
H.
Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study 鈥� Pourbaix Diagrams
Electrochim. Acta, 120 :460鈥�466
2014
Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study 鈥� Pourbaix Diagrams
Electrochim. Acta, 120 :460鈥�466
2014
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0107_Chlorine_Evolution_Electrochimica_Acta_2014.pdf |
480.
Exner,
K. S.;
Anton,
Josef;
Jacob,
Timo;
Over,
Herbert
Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts
Angew. Chemie (126) :11212 - 11215
2014
Publisher: Wiley-VCH
Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts
Angew. Chemie (126) :11212 - 11215
2014
Publisher: Wiley-VCH
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116d_Controlling_Selectivity_Angew_Chem_2014.pdf |
479.
Exner,
K. S.;
Over,
H.;
Anton,
J.;
Jacob,
T.
Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts
Angew. Chemie Int. Ed. (53) :11032 - 11035
2014
Publisher: Wiley -VCH
Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-based Catalysts
Angew. Chemie Int. Ed. (53) :11032 - 11035
2014
Publisher: Wiley -VCH
| DOI: | |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0116e_Controlling_Selectivity_Angew_Chem_2014.pdf |