Publications - Articles

2016

461.
T. Jacob, T. Pajkossy, C. Müller and S. Vesztergom, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0137_IL_Immersion_ElectrochimActa.pdf
460.
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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141d_Photo_HER_on_Mn4V4_ACIE.pdf
459.
T. Jacob, L. A. Kibler, M. Giesen, M. Al-Shakran and G. L. Beltramo, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0139_Step_diffusivity_Part-I_SurfSci.pdf
458.
T. Jacob, T. Pajkossy, C. Müller, S. Vesztergom and K. Németh, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0136_BMIPF6_HOPG_PCCP.pdf
457.
T. Jacob, A. Farkas, M. Arkhipova, C. A. Berger and G. Maas, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0138_Ti_deposition_from_IL_PCCP.pdf
456.
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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0141e_Photo_HER_on_Mn4V4_ACIE.pdf

2015

455.
T. Jacob and K. Doll, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0135_QMMM_JTheoCompChem.pdf
454.
T. Jacob, W. Wei, Y. Dai, B. Huang, S. Han, Q. Sun and N. Yin, "Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures ", Phys. Chem. Chem. Phys., vol. 17, pp. 29380 - 29386, Oct. 2015. Royal Society of Chemistry.
DOI:10.1039/c5cp04861c
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0132_2D_TM_Dichalcogenides_PCCP.pdf
453.
T. Jacob, A. C. T. van Duin, D. Fantauzzi, A. Bogaerts, M. Golkaram, E. C. Neyts, Y. -. Shin and C. C. W. Verlackt, "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, Oct. 2015. 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
452.
T. Jacob, L. A. Kibler, M. Giesen, M. Al-Shakran and G. L. Beltramo, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0134_Au_stepline_tension_ElectrochimActa.pdf
451.
T. Jacob, A. C. T. van Duin, D. Fantauzzi, J. E. Mueller and L. Sabo, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0130_ReaxFF_Pt_Oxide_ChemPhysChem.pdf
450.
T. Jacob, K. A. Soliman, L. A. Kibler, S. -. Sun and Y. Sheasha, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0131_Ir_spherical_particles_Electrocatalysis.pdf
449.
T. Jacob, W. Wei, Y. Dai, B. Huang and M. -. Whangbo, "Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)", The Journal of Physical Chemistry Letters, vol. 6, pp. 1065−1070, Mar. 2015. American Chemical Society.
DOI:10.1021/acs.jpclett.5b00106
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0127_Silicene_Ir111_JPhysChemLett.pdf
448.
T. Jacob, J. Anton, K. S. Exner 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, Mar. 2015. Springer.
DOI:10.1007/s12678-014-0220-3
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0128_CER_RuO2_Electrocatalysis.pdf
447.
T. Jacob, W. Wei, Y. Dai, B. Huang, H. Over, M. -. Whangbo, X. Li and F. Nägele, "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
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0129_RuO2_TiO2_JPhysChemC.pdf
446.
T. Jacob, R. J. Behm, M. Metzler, A. Thorwart, T. Diemant and S. Zeller, "Electroless deposition of Au/Pt/Pd nanoparticles on p-Si(1 1 1) for the light-induced hydrogen evolution reaction", Catalysis Today, no. 244, pp. 3 - 9, 2015. 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
445.
T. Jacob, L. A. Kibler and M. Al-Shakran, "Homoepitaxial electrodeposition on reconstructed and unreconstructed Au(100): An in-situ STM study", Surface Science, vol. 631, pp. 130 - 134, 2015. Elsevier B.V..
DOI:10.1016/j.susc.2014.08.001
File:Articles
444.
K. S. Exner, J. Anton, T. Jacob and H. Over, "Ligand Effects and Their Impact on Electrocatalytic Processes Exemplified with the Oxygen Evolution Reaction (OER) on RuO2(110", ChemElectroChem, vol. 2 (5), 2015. Wiley VCH.
DOI:10.1002/celc.201402430
443.
T. Jacob, D. Fantauzzi, J. E. Mueller, T. Zhu, E. J. M. Hensen and I. A. W. Filot, "Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface", Catalysis Letters, vol. 145, no. 1, pp. 451-457, 2015. 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
442.
T. Jacob, P. Kaghazchi, T. Zhu, E. J. M. Hensen, C. Popa and I. Tranca, "Structure of palladium nanoparticles under oxidative conditions", Phys. Chem. Chem. Phys., vol. 17, pp. 2268 - 2273, 2015.
DOI:10.1039/c4cp01761g
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0125_Pd_O_particles_PCCP.pdf
441.
T. Jacob, T. Pajkossy, C. Müller and S. Vesztergom, "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
File:Articles

2014

440.
T. Jacob, A. C. T. van Duin, D. Fantauzzi, J. Bandlow, J. E. Mueller and L. Sabo, "Development of a ReaxFF potential for Pt–O systems describing the energetics and dynamics of Pt-oxide formation", Physical Chemistry Chemical Physics, vol. 16, pp. 23118-23133, Sep. 2014. 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
439.
Y. Dai, M. Metzler, T. Jacob, D. M. Kolb and U. Ziener, "Fast vs. Slow: Electrolyte and Potential Dependent Adlayer Switching of an Oligopyridine on Au(111)", Electrochimica Acta, vol. 137, pp. 416—422, Aug. 2014. Elsevier BV.
DOI:10.1016/j.electacta.2014.06.046
File:https://doi.org/10.1016%2Fj.electacta.2014.06.046
438.
W. Gao, E. H. Song, Q. Jiang and T. Jacob, "Revealing the Active Intermediates in the Oxidation of Formic Acid on Au and Pt(111)", Chemistry - A European Journal, vol. 20, no. 35, pp. 11005—11012, Jul. 2014. Wiley.
DOI:10.1002/chem.201402737
File:https://doi.org/10.1002%2Fchem.201402737
437.
T. Jacob and L. Sabo, "Grundlagen Elektrochemischer Grenzschichten,", Bunsen-Magazin, vol. 6, pp. 260—267, Jun. 2014. Deutsche Bunsen-Gesellschaft.
File:Publications