2016

517.
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
DOI:10.1016/j.susc.2016.03.021
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0139_Step_diffusivity_Part-I_SurfSci.pdf
516.
Müller, C.; Vesztergom, Soma; Pajkossy, T.; Jacob, T.
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
515.
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
DOI:10.1002/anie.201511804
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142e_CER_Kinetik_ACIE.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
DOI:10.1039/C5CP07853A
File:http://dx.doi.org/10.1039/C5CP07853A
513.
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
DOI:10.1002/ange.201601799
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141d_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
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
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
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.
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
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
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
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
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
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
DOI:10.1021/acs.jpcc.5b01884
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0129_RuO2_TiO2_JPhysChemC.pdf
502.
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.
DOI:10.1016/j.susc.2014.08.001
File:Articles
501.
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.
DOI:10.1016/j.jelechem.2014.06.010
File:Articles
500.
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.
DOI:10.1016/j.cattod.2014.10.026
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/123_AuPtPd_Photocatalysis_CatalToday.pdf
499.
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
DOI:10.1039/c4cp01761g
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0125_Pd_O_particles_PCCP.pdf
498.
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
DOI:10.1007/s10562-014-1448-5
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0124_ORR_Microkinetics_CatalLett.pdf
497.
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
DOI:10.1002/celc.201402430

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
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
File:Publications
494.
Jacob, T.; Chen, W.; Kaghazchi, P.; Wang, H.; Bartynski, R. A.
Nitrogen-induced Reconstruction and Faceting of Re(11-21)
J. Chem. Phys., 140 :024707
2014
Publisher: AIP Publishing
DOI:10.1063/1.4861046
File:pdf/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0108_Nitrogen_induced_J_Chem_Phys_2014.pdf
493.
Jacob, T.; Fantauzzi, D.; Mueller, J. E.; Okube, M.; Petrykin, V.; Krtil, P.
Topologically sensitive surface segregation of Au-Pd alloys in the electrocatalytic hydrogen evolution
Chem. Electro. Chem. :207 - 212
2014
DOI:10.1002/celc.201300112
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/104_Topologically_sensitive_surface_Chem_Electro_Chem_2014.pdf