2017

525.
T. Jacob, A. C. T. van Duin, D. Fantauzzi, C. Papp, H. -. Steinrück, J. E. Mueller, S. K. Calderón, M. Grabau and T. P. Senftle, "Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures", Angewandte Chemie, vol. 129, pp. 2638 –2642, 2017. Wiley-VCH.
DOI:10.1002/ange.201609317
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0148d_Pt_surf_oxides_ACIE.pdf
524.
T. Jacob, A. C. T. van Duin, D. Fantauzzi, C. Papp, H. -. Steinrück, J. E. Mueller, S. K. Calderón, M. Grabau and T. P. Senftle, "Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures", Angewandte Chemie, vol. 56, pp. 2594 –2598, 2017. Wiley-VCH.
DOI:10.1002/anie.201609317
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0148e_Pt_surf_oxides_ACIE.pdf

2016

523.
J. E. Mueller, J. Plöger, T. Jacob and J. Anton, "Theoretical Studies on the Adsorption of 1-Butyl-3-methyl- imidazolium-hexafluorophosphate (BMI/PF6) on Au(100) Surfaces", Top Catal, vol. 59, pp. 792–801, Apr. 2016. published online: Springer Science+Business Media.
DOI:10.1007/s11244-016-0552-8
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0143_IL_on_Au_TopCatal.pdf
522.
C. A. Berger, M. Arkhipova, G. Maas and T. Jacob, "Dysprosium electrodeposition from a hexaalkylguanidinium-based ionic liquid ", Nanoscale, vol. 8, pp. 13997–14003, Apr. 2016. The Royal Society of Chemistry.
DOI:10.1039/c6nr01351a
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0144_Dy_Deposition_Nanoscale.pdf
521.
M. Al-Shakran, L. A. Kibler, T. Jacob, G. L. Beltramo and M. Giesen, "Repulsive interactions induced by specific adsorption: Anomalous step diffusivity and inadequacy of nearest-neighbor Ising model (part I experimental)", Surface Science, vol. 651, pp. 84–93, 2016. Elsevier.
DOI:10.1016/j.susc.2016.03.021
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0139_Step_diffusivity_Part-I_SurfSci.pdf
520.
C. A. Berger, M. Arkhipova, A. Farkas, G. Maas and T. Jacob, "Titanium deposition from ionic liquids – appropriate choice of electrolyte and precursor", Phys.Chem.Chem.Phys., vol. 18, pp. 4961 - 4965, 2016. Royal Society of Chemistry.
DOI:10.1039/c5cp07152f
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0138_Ti_deposition_from_IL_PCCP.pdf
519.
C. Müller, K. Németh, S. Vesztergom, T. Pajkossy and T. Jacob, "The interface between HOPG and 1-butyl-3- methyl-imidazolium hexafluorophosphate", Phys.Chem.Chem.Phys., vol. 18, pp. 916--925, 2016. Royal Society of Chemistry.
DOI:10.1039/c5cp05406k
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0136_BMIPF6_HOPG_PCCP.pdf
518.
T. Jacob, C. A. Berger, J. Forster, M. K. Goetz, B. Schwarz, D. Yücel and C. Streb, "Visible-Light-Driven Water Oxidation by a Molecular Manganese Vanadium Oxide Cluster", Angewandte Chemie International Edition, vol. 55, pp. 6329 –6333, 2016. Wiley-VCH.
DOI:DOI: 10.1002/anie.201601799
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141e_Photo_HER_on_Mn4V4_ACIE.pdf
517.
T. Jacob, C. A. Berger, J. Forster, M. K. Goetz, B. Schwarz, D. Yücel and C. Streb, "Lichtinduzierte Wasseroxidation durch ein molekulares Manganvanadiumoxid", Angewandte Chemie, vol. 128, pp. 6437 –6441, 2016. Wiley-VCH.
DOI:10.1002/ange.201601799
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141d_Photo_HER_on_Mn4V4_ACIE.pdf
516.
C. Müller, S. Vesztergom, T. Pajkossy and T. Jacob, "Immersion measurements of potential of zero total charge (pztc) of Au (100) in an ionic liquid", Electrochimica Acta, vol. 188, pp. 512–515, 2016. Elsevier Ltd..
DOI:10.1016/j.electacta.2015.11.141
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0137_IL_Immersion_ElectrochimActa.pdf
515.
T. Jacob, J. Anton, K. S. Exner and H. Over, "Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode", Angewandte Chemie, vol. 55, pp. 7501 –7504, 2016. Wiley-VCH.
DOI:10.1002/anie.201511804
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142e_CER_Kinetik_ACIE.pdf
514.
T. Jacob, J. Anton, K. S. Exner and H. Over, "Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode", Angewandte Chemie, vol. 128, pp. 7627 –7630, 2016. Wiley-VCH.
DOI:10.1002/ange.201511804
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0142d_CER_Kinetik_ACIE.pdf
513.
Y. Dai, B. Eggers, M. Metzler, D. Künzel, A. Groß, T. Jacob and U. Ziener, "Cyanophenyl vs. pyridine substituent: impact on the adlayer structure and formation on HOPG and Au(111)", Phys. Chem. Chem. Phys., vol. 18, pp. 6668-6675, 2016. The Royal Society of Chemistry.
DOI:10.1039/C5CP07853A
Datei:http://dx.doi.org/10.1039/C5CP07853A

2015

512.
K. Doll and T. Jacob, "QM/MM description of periodic systems", Journal of Theoretical and Computational Chemistry, vol. 14, no. 7, pp. 1 - 14, Nov. 2015. World Scienti ̄c Publishing Company.
DOI:10.1142/S0219633615500546
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0135_QMMM_JTheoCompChem.pdf
511.
W. Wei, Y. Dai, Q. Sun, S. Han, N. Yin, B. Huang and T. Jacob, "Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures ", Phys. Chem. Chem. Phys., vol. 17, pp. 29380 - 29386, Okt. 2015. Royal Society of Chemistry.
DOI:10.1039/c5cp04861c
Datei:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0132_2D_TM_Dichalcogenides_PCCP.pdf
510.
C. C. W. Verlackt, E. C. Neyts, T. Jacob, D. Fantauzzi, M. Golkaram, Y. -. Shin, A. C. T. van Duin and A. Bogaerts, "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
509.
M. Al-Shakran, L. A. Kibler, T. Jacob, G. L. Beltramo and M. Giesen, "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
508.
D. Fantauzzi, J. E. Mueller, L. Sabo, A. C. T. van Duin and T. Jacob, "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
507.
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
506.
Y. Sheasha, K. A. Soliman, S. -. Sun, T. Jacob and L. A. Kibler, "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
505.
W. Wei, Y. Dai, B. Huang, M. -. Whangbo and T. Jacob, "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
504.
K. S. Exner, J. Anton, T. Jacob 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
503.
C. Müller, S. Vesztergom, T. Pajkossy and T. Jacob, "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
502.
C. Popa, T. Zhu, I. Tranca, P. Kaghazchi, T. Jacob and E. J. M. Hensen, "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
501.
W. Wei, Y. Dai, B. Huang, X. Li, F. Nägele, H. Over, M. -. Whangbo and T. Jacob, "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