2017
526.
Jacob,
T.;
Fantauzzi,
D.;
Papp,
C.;
Steinrück,
H.-P.;
Mueller,
J. E.;
Zhu,
T.;
Farkas,
A.
On the platinum-oxide formation under gas-phase and electrochemical conditions
Journal of Electron Spectroscopy and Related Phenomena, 221 :44 – 57
2017
Publisher: Elsevier B.V.
On the platinum-oxide formation under gas-phase and electrochemical conditions
Journal of Electron Spectroscopy and Related Phenomena, 221 :44 – 57
2017
Publisher: Elsevier B.V.
| DOI: | 10.1016/j.elspec.2017.06.005 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0157_Pt_oxides_ELSPEC.pdf |
525.
Jacob,
T.;
Kibler,
L.A.;
Sheasha,
Y.;
Yücel,
D.;
Knape,
M.;
Holl,
S.;
Henne,
S.;
Heitmüller,
S.
Potentiodynamic Chromium Deposition from Trivalent and Hexavalent Systems on Glassy Carbon Electrodes: Initial Stages and Mechanistic Insights
ChemElectroChem, 4 :1390 – 1394
2017
Publisher: Wiley-VCH
Potentiodynamic Chromium Deposition from Trivalent and Hexavalent Systems on Glassy Carbon Electrodes: Initial Stages and Mechanistic Insights
ChemElectroChem, 4 :1390 – 1394
2017
Publisher: Wiley-VCH
| DOI: | 10.1002/celc.201700175 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0155_Cr-deposition_ChemElectroChem.pdf |
524.
Jacob,
T.;
Kibler,
L.A.;
Giesen,
M.;
Ibach,
H.;
Al-Shakran,
M.
Repulsive Interactions Induced by Specific Adsorption: Anomalous Step Diffusivity and Inadequacy of Nearest-Neighbor Ising Model (Part II Theory)
Surface Science, 659 :52–57
2017
Publisher: Elsevier B.V.
Repulsive Interactions Induced by Specific Adsorption: Anomalous Step Diffusivity and Inadequacy of Nearest-Neighbor Ising Model (Part II Theory)
Surface Science, 659 :52–57
2017
Publisher: Elsevier B.V.
| DOI: | 10.1016/j.susc.2016.03.022 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0151_Step_diffusivity_Part-II_SurfSci.pdf |
523.
Jacob,
T.;
Hassan,
H. K.;
Hamed,
M. M.;
Atta,
N. F.;
Galal,
A.
Ruthenium nanoparticles-modified reduced graphene prepared by a green method for high- performance supercapacitor application in neutral electrolyte
RSC Advances, 7 :11286–11296
2017
Publisher: The Royal Society of Chemistry
Ruthenium nanoparticles-modified reduced graphene prepared by a green method for high- performance supercapacitor application in neutral electrolyte
RSC Advances, 7 :11286–11296
2017
Publisher: The Royal Society of Chemistry
| DOI: | 10.1039/c6ra27415c |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0150_Ru-RGO_RSC-Adv.pdf |
522.
Jacob,
T.;
Nägele,
F.;
Streb,
C.;
Anjass,
M.;
Kastner,
K.;
Ringenberg,
M.;
Boas,
J. F.;
Bond,
A. M.;
Zhang,
J.
Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochva- lenten molekularen Vanadium(V)-Oxid-Cluster
Angewandte Chemie, 129 :14944 –14947
2017
Publisher: Wiley-VCH
Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochva- lenten molekularen Vanadium(V)-Oxid-Cluster
Angewandte Chemie, 129 :14944 –14947
2017
Publisher: Wiley-VCH
| DOI: | 10.1002/ange.201706828 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0166d_Fe-cluster_vs_V-cluster_ACIE.pdf |
521.
Jacob,
T.;
Nägele,
F.;
Streb,
C.;
Anjass,
M.;
Kastner,
K.;
Ringenberg,
M.;
Boas,
J. F.;
Bond,
A. M.;
Zhang,
J.
Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster
Angewandte Chemie International Edition, 56 :14749 –14752
2017
Publisher: Wiley-VCH
Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster
Angewandte Chemie International Edition, 56 :14749 –14752
2017
Publisher: Wiley-VCH
| DOI: | 10.1002/anie.201706828 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0166e_Fe-cluster_vs_V-cluster_ACIE.pdf |
520.
Jacob,
T.;
Mueller,
J. E.;
Zhu,
T.;
Hanauer,
M.;
Sauter,
U.
Structural Motifs for Modeling Sulfur-Poly(acrylonitrile) Composite Materials in Sulfur-Lithium Batteries
CHEMELECTROCHEM, 4 :2494 – 2499
2017
Publisher: Wiley-VCH
Structural Motifs for Modeling Sulfur-Poly(acrylonitrile) Composite Materials in Sulfur-Lithium Batteries
CHEMELECTROCHEM, 4 :2494 – 2499
2017
Publisher: Wiley-VCH
| DOI: | 10.1002/celc.201700428 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0158_Li_SPAN_I_ChemElectroChem.pdf |
519.
Jacob,
T.;
Mueller,
J. E.;
Zhu,
T.;
Hanauer,
M.;
Sauter,
U.
Theoretical Studies on the Charging and Discharging of Poly(acrylonitrile)-Based Lithium-Sulfur Batteries
CHEMELECTROCHEM, 4 :2975 – 2980
2017
Publisher: Wiley-VCH
Theoretical Studies on the Charging and Discharging of Poly(acrylonitrile)-Based Lithium-Sulfur Batteries
CHEMELECTROCHEM, 4 :2975 – 2980
2017
Publisher: Wiley-VCH
| DOI: | 10.1002/celc.201700549 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0165_Li_SPAN_II_ChemElectroChem.pdf |
518.
Jacob,
T.;
Gao,
W.;
Jiang,
Q.;
Liu,
S. P.;
Zhao,
M.
Theoretical Studies on the CO2 Reduction to CH3OH on Cu(211)
Electrocatalysis, 8 :647–656
2017
Publisher: Springer Science+Business Media
Theoretical Studies on the CO2 Reduction to CH3OH on Cu(211)
Electrocatalysis, 8 :647–656
2017
Publisher: Springer Science+Business Media
| DOI: | 10.1007/s12678-017-0403-9 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0161_CO2_on_Cu_Forschergruppe_Electrocatalysis.pdf |
517.
Jacob,
T.;
Wang,
L.;
Mitoraj,
D.;
Turner,
S.;
Khavryuchenko,
O. V.;
Hocking,
R. K.;
Beranek,
R.
Ultrasmall CoO(OH)x Nanoparticles As a Highly Efficient “True” Cocatalyst in Porous Photoanodes for Water Splitting
ACS Catalysis, 7 :4759−4767
2017
Ultrasmall CoO(OH)x Nanoparticles As a Highly Efficient “True” Cocatalyst in Porous Photoanodes for Water Splitting
ACS Catalysis, 7 :4759−4767
2017
| DOI: | 10.1021/acscatal.7b01466 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0162_CoOOH_NP_Photoanodes_ACSCatal.pdf |
2016
516.
Jacob,
T.;
Anton,
J.;
Mueller,
J. E.;
Plöger,
J.
Theoretical Studies on the Adsorption of 1-Butyl-3-methyl- imidazolium-hexafluorophosphate (BMI/PF6) on Au(100) Surfaces
Top Catal, 59 :792–801
April 2016
published online
Publisher: Springer Science+Business Media
Theoretical Studies on the Adsorption of 1-Butyl-3-methyl- imidazolium-hexafluorophosphate (BMI/PF6) on Au(100) Surfaces
Top Catal, 59 :792–801
April 2016
published online
Publisher: Springer Science+Business Media
| DOI: | 10.1007/s11244-016-0552-8 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0143_IL_on_Au_TopCatal.pdf |
515.
Jacob,
T.;
Arkhipova,
M;
Berger,
C. A.;
Maas,
G.
Dysprosium electrodeposition from a hexaalkylguanidinium-based ionic liquid
Nanoscale, 8 :13997–14003
April 2016
Publisher: The Royal Society of Chemistry
Dysprosium electrodeposition from a hexaalkylguanidinium-based ionic liquid
Nanoscale, 8 :13997–14003
April 2016
Publisher: The Royal Society of Chemistry
| DOI: | 10.1039/c6nr01351a |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0144_Dy_Deposition_Nanoscale.pdf |
514.
Dai,
Y.;
Eggers,
B.;
Metzler,
M.;
Künzel,
D.;
Groß,
A.;
Jacob,
T.;
Ziener,
U.
Cyanophenyl vs. pyridine substituent: impact on the adlayer structure and formation on HOPG and Au(111)
Phys. Chem. Chem. Phys., 18 :6668-6675
2016
Publisher: The Royal Society of Chemistry
Cyanophenyl vs. pyridine substituent: impact on the adlayer structure and formation on HOPG and Au(111)
Phys. Chem. Chem. Phys., 18 :6668-6675
2016
Publisher: The Royal Society of Chemistry
| DOI: | 10.1039/C5CP07853A |
| File: | http://dx.doi.org/10.1039/C5CP07853A |
513.
Jacob,
T.;
Anton,
J.;
Exner,
K. S.;
Over,
H.
Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode
Angewandte Chemie, 128 :7627 –7630
2016
Publisher: Wiley-VCH
Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode
Angewandte Chemie, 128 :7627 –7630
2016
Publisher: Wiley-VCH
| DOI: | 10.1002/ange.201511804 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142d_CER_Kinetik_ACIE.pdf |
512.
Jacob,
T.;
Anton,
J.;
Exner,
K. S.;
Over,
H.
Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode
Angewandte Chemie, 55 :7501 –7504
2016
Publisher: Wiley-VCH
Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode
Angewandte Chemie, 55 :7501 –7504
2016
Publisher: Wiley-VCH
| DOI: | 10.1002/anie.201511804 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142e_CER_Kinetik_ACIE.pdf |
511.
Jacob,
T.;
Pajkossy,
T.;
Müller,
C.;
Vesztergom,
Soma
Immersion measurements of potential of zero total charge (pztc) of Au (100) in an ionic liquid
Electrochimica Acta, 188 :512–515
2016
Publisher: Elsevier Ltd.
Immersion measurements of potential of zero total charge (pztc) of Au (100) in an ionic liquid
Electrochimica Acta, 188 :512–515
2016
Publisher: Elsevier Ltd.
| DOI: | 10.1016/j.electacta.2015.11.141 |
| File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0137_IL_Immersion_ElectrochimActa.pdf |
510.
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 |
509.
Jacob,
T.;
Kibler,
L.A.;
Giesen,
M.;
Al-Shakran,
M.;
Beltramo,
G. L.
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 |
508.
Jacob,
T.;
Pajkossy,
T.;
Müller,
C.;
Vesztergom,
Soma;
Németh,
K.
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 |
507.
Jacob,
T.;
Farkas,
A.;
Arkhipova,
M;
Berger,
C. A.;
Maas,
G.
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 |
506.
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
505.
Jacob,
T.;
Doll,
K.
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 |
504.
Jacob,
T.;
Wei,
W.;
Dai,
Y.;
Huang,
B.;
Han,
S.;
Sun,
Q.;
Yin,
N.
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 |
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: | 10.1088/1367-2630/17/10/103005 |
| 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 :427–434
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 |