Publications - Articles

2020

499.
[Englisch] D. Gaissmaier, M. Van den Borg, D. Fantauzzi and T. Jacob, "Microscopic Properties of Na and Li—A First Principle Study of Metal Battery Anode Materials" , ChemSusChem, vol. 13, pp. 771 – 783, 2020. Wiley-VCH.
DOI:DOI: 10.1002/cssc.201902860
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0198_Na_Li_Diffusion_Batteries_ChemSusChem.pdf
498.
[Englisch] D. Esau, F. M. Schuett, K. L. Varvaris, J. Björk, T. Jacob and G. Jerkiewicz, "Controlled-Atmosphere Flame Fusion Growth of Nickel Poly-oriented Spherical Single Crystals—Unraveling Decades of Impossibility" , Electrocatalysis, pp. 1 - 13; 25 - 34, 2020. Springer Science+Business Media.
DOI:https://doi.org/10.1007/s12678-019-00575-w
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0196_Ni_SingleCrystals_Electrocatal.pdf
497.
[Englisch] B. Kirchhoff, L. Braunwarth, C. Jung, H. Jonsson, D. Fantauzzi and T. Jacob, "Simulations of the Oxidation and Degradation of Platinum Electrocatalysts" , Small, vol. 16, pp. 1 - 7, 2020. Wiley-VCH.
DOI:doi.org/10.1002/smll.201905159
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0195_Pt_Nanoparticles_Small.pdf
496.
[Englisch] A. V. Rudnev, M. R. Ehrenburg, E. B. Molodkina, A. Abdelrahman, M. Arenz, P. Broekmann and T. Jacob, "Structural Changes of Au(111) Single-Crystal Electrode Surface in Ionic Liquids" , ChemElectroChem, vol. 7, pp. 501 - 508, 2020. Wiley-VCH.
DOI:DOI: 10.1002/celc.201902010
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0197_Au_111__STM_stability_ChemElectroChem.pdf
495.
I. Krivtsov, D. Mitoraj, C. Adler, M. Ilkaeva, M. Sardo, L. Mafra, C. Neumann, A. Turchanin, C. Li, B. Dietzek, R. Leiter, J. Biskupek, U. Kaiser, C. Im, B. Kirchhoff, T. Jacob and R. Beranek, "Water-Soluble Polymeric Carbon Nitride Colloidal Nanoparticles for Highly Selective Quasi-Homogeneous Photocatalysis" , Angwandte Chemie, vol. 132, pp. 495 - 503, 2020. Wiley-VCH GmbH & Co. KGaA.
DOI:DOI: 10.1002/ange.201913331
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0194_CN_x_AngewandteChemie-de.pdf
494.
[Englisch] I. Krivtsov, D. Mitoraj, C. Adler, M. Ilkaeva, M. Sardo, L. Mafra, C. Neumann, A. Turchanin, C. Li, B. Dietzek, R. Leiter, J. Biskupek, U. Kaiser, C. Im, B. Kirchhoff, T. Jacob and R. Beranek, "Water-Soluble Polymeric Carbon Nitride Colloidal Nanoparticles for Highly Selective Quasi-Homogeneous Photocatalysis" , Angewandte Chemie, vol. 59, pp. 487 – 495, 2020. Wiley-VCH.
DOI:DOI: 10.1002/anie.201913331
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0194_CN_x_AngewandteChemie_en.pdf

2019

493.
C. Jung, L. Braunwarth and T. Jacob, "Grand Canonical ReaxFF Molecular Dynamics Simulations for Catalytic Reactions" , Journal of Chemical Theory and Computation, vol. 15, pp. 5810−5816, Sep. 2019. ACS Publications.
DOI:10.1021/acs.jctc.9b00687
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0192_GCMD_JChemTheoComp.pdf
492.
X. Lv, W. Wei, P. Zhao, D. Er, B. Huang, Y. Dai and T. Jacob, "Oxygen-terminated BiXenes and derived single atom catalysts for the hydrogen evolution reaction" , Journal of Catalysis, vol. 378, pp. 97–103, Sep. 2019. Elsevier Inc..
DOI:10.1016/j.jcat.2019.08.019
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0191_MXenes_JCatal.pdf
491.
A. Abdelrahman, J. M. Hermann, T. Jacob and L. Kibler, "Adsorption of Acetate on Au(111): An in-situ Scanning Tunnelling Microscopy Study and Implications on Formic Acid Electrooxidation" , ChemPhysChem, vol. 20, pp. 2989 – 2996, Aug. 2019. Wiley-VCH.
DOI:10.1002/cphc.201900560
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0193_Acetate_Au111_ChemPhysChem.pdf
490.
M. Anjass, K. Kastner, F. Nägele, M. Ringenberg, J. F. Boas, J. Zhang, A. M. Bond, T. Jacob and C. Streb, "Antwort auf den Kommentar zu „Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochvalentem molekularen Vanadium(V) Oxid-Cluster“" , Angewandte Chemie, vol. 131, pp. 10151 – 10153, Jul. 2019. Wiley-VCH.
DOI:10.1002/ange.201902460
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_de.pdf
489.
M. Anjass, K. Kastner, F. Nägele, M. Ringenberg, J. F. Boas, J. Zhang, A. M. Bond, T. Jacob and C. Streb, "Reply to Comment on Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster" , Angewandte Chemie, vol. 58, pp. 10048 – 10050, Jul. 2019. Wiley-VCH.
DOI:10.1002/anie.201902460
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_en.pdf
488.
M. Eckl, S. Zaubitzer, C. Köntje, A. Farkas, L. Kibler and T. Jacob, "An Electrochemical Route for Hot Alkaline Blackening of Steel: A Nitrite Free Approach" , Surfaces, vol. 2, pp. 1 - 12, 2019. MDPI.
DOI:10.3390/surfaces2020000
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0187_Bruenieren_Surfaces.pdf
487.
A. Gili, L. Schlicker, M. F. Bekheet, O. Görke, D. Kober, U. Simon, P. Littlewood, R. Schomäker, A. Doran, D. Gaissmaier, T. Jacob, S. Selve and A. Gurlo, "Revealing the Mechanism of Multiwalled Carbon Nanotube Growth on Supported Nickel Nanoparticles by in Situ Synchrotron X‐ray Diffraction, Density Functional Theory, and Molecular Dynamics Simulations" , ACS Catalysis, vol. 9, pp. 6999-7011, 2019. ACS Publications.
DOI:10.1021/acscatal.9b00733
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0189_Ni_C_ACSCatal.pdf
486.
A. A. Rulev, A. V. Sergeev, L. V. Yashina, T. Jacob and D. M. Itkis, "Electromigration in Lithium Whisker Formation Plays Insignificant Role during Electroplating" , ChemElectroChem, vol. 6, pp. 1324 – 1328, 2019. Wiley-VCH Verlag GmbH & Co.KKaA.
DOI:10.1002/celc.201801652
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0184_Li-dendrites_ChemElectroChem.pdf
485.
[englisch] F. Li, W. Wei, H. Wang, B. Huang, Y. Dai and T. Jacob, "Intrinsic Electric Field-Induced Properties in Janus MoSSe van der Waals Structures" , The Journal of Physical Chemistry Letters 2019, vol. 10, pp. 559 - 565, 2019. ACS Publications.
DOI:10.1021/acs.jpclett.8b03463
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0183_MoSSe_vdW_Janus_JCPLett.pdf
484.
L. Blume, U. Sauter and T. Jacob, "Non-linear kinetics of the lithium-solid polymer electrolyte interface" , Electrochimica Acta, vol. 318, pp. 551 - 559, 2019. Elsevier Ltd.
DOI:10.1016/j.electacta.2019.06.070
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0186_NonLinear_Kinetics_Batteries_ElectrochimActa.pdf
483.
T. E. Gorelik, R. Neder, M. W. Terban, Z. Lee, X. Mu, C. Jung, T. Jacob and U. Kaiser, "Towards quantitative treatment of electron pair distribution function" , Acta Crystallographica, vol. 75, pp. 532–549, 2019. International Union of Crystallography.
DOI:10.1107/S205252061900670X
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0188_PDF_water_ActaCrystB.pdf
482.
D. Gaissmaier, D. Fantauzzi and T. Jacob, "First principles studies of self-diffusion processes on metallic lithium surfaces" , The Journal of Chemical Physics, vol. 150, no. 041723, pp. 1 - 14, 2019. AIP Publishing.
DOI:10.1063/1.5056226
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0181_Li_self-diffusion_JCP.pdf
481.
A. Rajagopal, F. Venter, T. Jacob, L. Petermann, S. Rau, S. Tschierlei and C. Streb, "Homogeneous visible light-driven hydrogen evolution by the molecular molybdenum sulfide model [Mo2S12]2" , Sustainable Energy Fuels, vol. 3, pp. 92 – 95, 2019. The Royal Society of Chemistry.
DOI:10.1039/c8se00346g
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0182_HER_Mo2S12_SusEnergFuels.pdf
480.
A. Galal, H. K. Hassan, N. F. Atta and T. Jacob, "Energy and cost-efficient nano-Ru-based perovskites/RGO composites for application in high performance supercapacitors " , Journal of Colloid and Interface Science, vol. 538, pp. 578 – 586, 2019. Elsevier Inc..
DOI:10.1016/j.jcis.2018.12.018
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0179_Ru-perovskite_RGO_Part-II_JCollInterfSoc.pdf
479.
M. U. Ceblin, S. Zeller, L. Kibler, T. Jacob and B. Schick, "Electrodeposition of Ag onto Au(111) from Deep Eutectic Solvents" , ChemElectroChem, vol. 6, pp. 141 – 146, 2019. Wiley-VCH.
DOI:10.1002/celc.201801192
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0180_Ag_DES_Ceblin_ChemElectroChem.pdf

2018

478.
J. M. Hermann, Y. Mattausch, A. Weiß, T. Jacob and L. Kibler, "Enhanced Electrocatalytic Oxidation of Formic Acid on Au(111) in the Presence of Pyridine " , Journal of The Electrochemical Society, vol. 165, pp. J3192 - J3198, Oct. 2018.
DOI:10.1149/2.0251815jes
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0178_Pyridine_HCOOH_Au111_Adzic-Issue_JElectrochemSoc.pdf
477.
A. Scalia, A. Varzi, A. Lamberti, T. Jacob and S. Passerini, "Portable High Voltage Integrated Harvesting-Storage Device Employing Dye-Sensitized Solar Module and All-Solid-State Electrochemical Double Layer Capacitor" , Frontiers in Chemistry, vol. 6, no. 443, pp. 1 - 8, Sep. 2018.
DOI:10.3389/fchem.2018.00443
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0176_SolarSupercap_FrontChem.pdf
476.
S. Hu, W. Xu, X. Qiu, J. Zhu, J. Björk, T. Jacob, C. Yuan, J. Zou, L. Xu, L. Cai, H. Ju, H. Ma, J. Pan, Z. Zha, M. Bao, Q. Sun, M. Liu and X. Yu, "Direct Formation of C−C Double-Bonded Structural Motifs by On-Surface Dehalogenative Homocoupling of gem- Dibromomethyl Molecules" , ACS Nano, vol. 12, pp. 7959−7966, Jul. 2018.
DOI:10.1021/acsnano.8b02459
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0177_CC_DoubleBond_ACSNano.pdf
475.
L. Kibler, J. M. Hermann, A. Abdelrahman, A. A. El-Aziz and T. Jacob, "New insights on hydrogen evolution at Au single crystal electrodes" , Current Opinion in Electrochemistry, vol. 9, pp. 265–270, 2018.
DOI:0.1016/j.coelec.2018.05.013
File:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0174_HER_Au_CurrOpElectrochem.pdf