2016
517.
Jacob,
T.;
Berger,
C. A.;
Forster,
J.;
Goetz,
McKenna K.;
Schwarz,
B.;
Yücel,
D.;
Streb,
C.
Lichtinduzierte Wasseroxidation durch ein molekulares Manganvanadiumoxid
Angewandte Chemie, 128 :6437 –6441 Zuschriften
2016
Publisher: Wiley-VCH
Lichtinduzierte Wasseroxidation durch ein molekulares Manganvanadiumoxid
Angewandte Chemie, 128 :6437 –6441 Zuschriften
2016
Publisher: Wiley-VCH
| DOI: | 10.1002/ange.201601799 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141d_Photo_HER_on_Mn4V4_ACIE.pdf |
516.
Al-Shakran,
M.;
Kibler,
L.A.;
Jacob,
T.;
Beltramo,
G. L.;
Giesen,
M.
Repulsive interactions induced by specific adsorption: Anomalous step diffusivity and inadequacy of nearest-neighbor Ising model (part I experimental)
Surface Science, 651 :84–93
2016
Publisher: Elsevier
Repulsive interactions induced by specific adsorption: Anomalous step diffusivity and inadequacy of nearest-neighbor Ising model (part I experimental)
Surface Science, 651 :84–93
2016
Publisher: 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 |
515.
Müller,
C.;
Németh,
K.;
Vesztergom,
Soma;
Pajkossy,
T.;
Jacob,
T.
The interface between HOPG and 1-butyl-3- methyl-imidazolium hexafluorophosphate
Phys.Chem.Chem.Phys., 18 :916--925
2016
Publisher: Royal Society of Chemistry
The interface between HOPG and 1-butyl-3- methyl-imidazolium hexafluorophosphate
Phys.Chem.Chem.Phys., 18 :916--925
2016
Publisher: Royal Society of Chemistry
| DOI: | 10.1039/c5cp05406k |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0136_BMIPF6_HOPG_PCCP.pdf |
514.
Berger,
C. A.;
Arkhipova,
M;
Farkas,
A.;
Maas,
G.;
Jacob,
T.
Titanium deposition from ionic liquids – appropriate choice of electrolyte and precursor
Phys.Chem.Chem.Phys., 18 :4961 - 4965
2016
Publisher: Royal Society of Chemistry
Titanium deposition from ionic liquids – appropriate choice of electrolyte and precursor
Phys.Chem.Chem.Phys., 18 :4961 - 4965
2016
Publisher: Royal Society of Chemistry
| DOI: | 10.1039/c5cp07152f |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0138_Ti_deposition_from_IL_PCCP.pdf |
513.
Jacob,
T.;
Berger,
C. A.;
Forster,
J.;
Goetz,
McKenna K.;
Schwarz,
B.;
Yücel,
D.;
Streb,
C.
Visible-Light-Driven Water Oxidation by a Molecular Manganese Vanadium Oxide Cluster
Angewandte Chemie International Edition, 55 :6329 –6333
2016
Publisher: Wiley-VCH
Visible-Light-Driven Water Oxidation by a Molecular Manganese Vanadium Oxide Cluster
Angewandte Chemie International Edition, 55 :6329 –6333
2016
Publisher: 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
512.
Doll,
K.;
Jacob,
T.
QM/MM description of periodic systems
Journal of Theoretical and Computational Chemistry, 14 (7) :1 - 14
November 2015
Publisher: World Scienti ̄c Publishing Company
QM/MM description of periodic systems
Journal of Theoretical and Computational Chemistry, 14 (7) :1 - 14
November 2015
Publisher: World Scienti ̄c Publishing Company
| DOI: | 10.1142/S0219633615500546 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0135_QMMM_JTheoCompChem.pdf |
511.
Wei,
W.;
Dai,
Y.;
Sun,
Q.;
Han,
S.;
Yin,
N.;
Huang,
B.;
Jacob,
T.
Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures
Phys. Chem. Chem. Phys., 17 :29380 - 29386
October 2015
Publisher: Royal Society of Chemistry
Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures
Phys. Chem. Chem. Phys., 17 :29380 - 29386
October 2015
Publisher: Royal Society of Chemistry
| DOI: | 10.1039/c5cp04861c |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0132_2D_TM_Dichalcogenides_PCCP.pdf |
510.
Verlackt,
C. C. W.;
Neyts,
E. C.;
Jacob,
T.;
Fantauzzi,
D.;
Golkaram,
M.;
Shin,
Y.-K.;
van Duin,
A.C.T.;
Bogaerts,
A.
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: | 10.1088/1367-2630/17/10/103005 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0133_DNA_ReaxFF_NJPhys.pdf |
509.
Al-Shakran,
M.;
Kibler,
L.A.;
Jacob,
T.;
Beltramo,
G. L.;
Giesen,
M.
Step Dipole Moment and Step Line Tension on Au(100) in Aqueous KBr electrolyte
Electrochimica Acta, 180 :427–434
August 2015
Publisher: Elsevier Ltd.
Step Dipole Moment and Step Line Tension on Au(100) in Aqueous KBr electrolyte
Electrochimica Acta, 180 :427–434
August 2015
Publisher: 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 |
508.
Fantauzzi,
D.;
Mueller,
J. E.;
Sabo,
L.;
van Duin,
A.C.T.;
Jacob,
T.
Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)
CHEMPHYSCHEM Articles, 16 :2797 – 2802
August 2015
Publisher: Wiley-VCH
Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)
CHEMPHYSCHEM Articles, 16 :2797 – 2802
August 2015
Publisher: Wiley-VCH
| DOI: | 10.1002/cphc.201500527 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0130_ReaxFF_Pt_Oxide_ChemPhysChem.pdf |
507.
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: | 10.1016/B978-0-12-409547-2.11148-5 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/B9_DoubleLayer_Elsevier_OnlineRefModule.pdf |
506.
Sheasha,
Y.;
Soliman,
K. A.;
Sun,
S.-G.;
Jacob,
T.;
Kibler,
L.A.
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: | 10.1007/s12678-015-0252-3 123 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0131_Ir_spherical_particles_Electrocatalysis.pdf |
505.
Wei,
W.;
Dai,
Y.;
Huang,
B.;
Whangbo,
M.-H.;
Jacob,
T.
Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)
The Journal of Physical Chemistry Letters, 6 :1065−1070
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 :1065−1070
March 2015
Publisher: American Chemical Society
| DOI: | 10.1021/acs.jpclett.5b00106 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0127_Silicene_Ir111_JPhysChemLett.pdf |
504.
Exner,
K. S.;
Anton,
J.;
Jacob,
T.;
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: | 10.1007/s12678-014-0220-3 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0128_CER_RuO2_Electrocatalysis.pdf |
503.
Wei,
W.;
Dai,
Y.;
Huang,
B.;
Li,
X.;
Nägele,
F.;
Over,
H.;
Whangbo,
M.-H.;
Jacob,
T.
Density Functional Characterization of the Electronic Structures and Band Bending of Rutile RuO2/TiO2(110) Heterostructures
The Journal of Physical Chemistry, 119 :12394−12399
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 :12394−12399
2015
Publisher: American Chemical Society
| DOI: | 10.1021/acs.jpcc.5b01884 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0129_RuO2_TiO2_JPhysChemC.pdf |
502.
Metzler,
M.;
Thorwart,
A.;
Zeller,
S.;
Diemant,
T.;
Behm,
R.J.;
Jacob,
T.
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: | 10.1016/j.cattod.2014.10.026 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/123_AuPtPd_Photocatalysis_CatalToday.pdf |
501.
Al-Shakran,
M.;
Kibler,
L.A.;
Jacob,
T.
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: | 10.1016/j.susc.2014.08.001 |
| File: | Articles |
500.
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: | 10.1002/celc.201402430 |
499.
Fantauzzi,
D.;
Zhu,
T.;
Mueller,
J. E.;
Hensen,
E. J. M.;
Jacob,
T.;
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: | 10.1007/s10562-014-1448-5 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0124_ORR_Microkinetics_CatalLett.pdf |
498.
Popa,
C.;
Zhu,
T.;
Tranca,
I.;
Kaghazchi,
P.;
Jacob,
T.;
Hensen,
E. J. M.
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: | 10.1039/c4cp01761g |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0125_Pd_O_particles_PCCP.pdf |
497.
Müller,
C.;
Vesztergom,
Soma;
Pajkossy,
T.;
Jacob,
T.
The interface between Au(100) and 1-butyl-3-methyl-imidazolium- bis(trifluoromethylsulfonyl)imide
Journal of Electroanalytical Chemistry (737) :218–225
2015
Publisher: Elsevier B.V.
The interface between Au(100) and 1-butyl-3-methyl-imidazolium- bis(trifluoromethylsulfonyl)imide
Journal of Electroanalytical Chemistry (737) :218–225
2015
Publisher: Elsevier B.V.
| DOI: | 10.1016/j.jelechem.2014.06.010 |
| File: | Articles |
2014
496.
Fantauzzi,
D.;
Bandlow,
J.;
Sabo,
L.;
Jacob,
T.;
Mueller,
J. E.;
van Duin,
A.C.T.
Development of a ReaxFF potential for Pt–O 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–O 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: | 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 |
495.
Jacob,
T.;
Sabo,
L.
Grundlagen Elektrochemischer Grenzschichten,
Bunsen-Magazin, 6
June 2014
Grundlagen Elektrochemischer Grenzschichten,
Bunsen-Magazin, 6
June 2014
| File: | Publications |
494.
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
493.
Völker,
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—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—478
February 2014
Publisher: Elsevier BV
| DOI: | 10.1016/j.jallcom.2013.10.119 |
| File: | https://doi.org/10.1016%2Fj.jallcom.2013.10.119 |