Publications - Articles

2022

586.
A. Hoffmann, M. Uhl, M. Ceblin, F. Rohrbach, J. Bansmann, M. Mallah, H. Heuermann, T. Jacob and A. J. C. Kuehne, "Atmospheric Pressure Plasma-Jet Treatment of PAN-Nonwovens - Carbonization of Nanofiber Electrodes", C - Journal of Carbon Research, vol. 8, no. 3, pp. 33, Jun. 2022. MDPI AG.
DOI:10.3390/c8030033
585.
F. Fiesinger, D. Gaissmaier, M. Borg and T. Jacob, "First-Principles Studies on the Atomistic Properties of Metallic Magnesium as Anode Material in Magnesium-Ion Batteries", ChemSusChem, May 2022. Wiley.
DOI:10.1002/cssc.202200414
584.
S. Bertolini and T. Jacob, "Valence energy correction for electron reactive force field", Journal of Computational Chemistry, vol. 43(12), pp. 870 - 877, Mar. 2022. Wiley Periodicals LLC.
DOI:10.1002/jcc.26844
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0240_eReaxFF_JCompChem.pdf
583.
J. Gacs, Z. Vernon, L. Kocsis, Z. J. Berényi, E. S. Bogya and T. Jacob, "Epoxy mold adhesion on various plasma-treated thermoplastic polymer surfaces", The International Journal of Advanced Manufacturing Technology, vol. 120, no. 7-8, pp. 4493—4504, Mar. 2022. Springer Science and Business Media LLC.
DOI:10.1007/s00170-022-09049-8
582.
S. Bertolini and T. Jacob, "Sulfurized-polyacrylonitrile in lithium-sulfur batteries: Interactions between undercoordinated carbons and polymer structure under low lithiation", Journal of Energy Chemistry, vol. 66 (2022), pp. 587–596, Mar. 2022. Elsevier B.V..
DOI:10.1016/j.jechem.2021.08.070
581.
X. Liu, T. Jacob and W. Gao, "Progress of fundamental mechanism of formic acid decomposition and electrooxidation", Journal of Energy Chemistry, vol. 70, pp. 292–309, Feb. 2022. Elsevier B.V. and Science Press.
DOI:10.1016/j.jechem.2022.02.017
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0239_HCOOH_Review_JEnergChem.pdf
580.
P. Henkel, S. Zahn, J. Lorenz, T. Jacob, J. Janek and D. Mollenhauer, "Temperature-dependent Li vacancy diffusion in Li4Ti5O12 by means of first principles molecular dynamic simulations", Phys. Chem. Chem. Phys., vol. 24, pp. 5301–5316, Feb. 2022. Royal Society of Chemistry.
DOI:10.1039/d1cp05126a
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0238_Li_diffusion_LTO_PhysChemChemPhys.pdf
579.
H. K. Hassan, A. Farkas, A. Varzi and T. Jacob, "Mixed Metal‐Organic Frameworks as Efficient Semi‐Solid Electrolytes for Magnesium‐Ion Batteries", Batteries and Supercaps, vol. 10, 2022. Wiley.
DOI:https://doi.org/10.1002/batt.202200260
578.
S. Zeller, T. Geng, M. U. Ceblin, M. Uhl, A. J. C. Kühne, L. A. Kibler and T. Jacob, "An Interfacial Study of Au(111) Electrodes in Deep Eutectic Solvents", ChemElectroChem, vol. 9, 2022. Wiley VCH.
DOI:10.1002/celc.202200352
577.
S. Bertolini and T. Jacob, "Atomistic discharge studies of sulfurized-polyacrylonitrile through ab initio molecular dynamics", Electrochimica Acta 403 (2022), vol. 139538, pp. 1 - 7, 2022. Elsevier Ltd..
DOI:10.1016/j.electacta.2021.139538
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0237_Li-SPAN_IV_ElectrochimActa.pdf
576.
M. Van den Borg, D. Gaissmaier, D. Fantauzzi, E. Knobbe and T. Jacob, "Atomistic Studies on Water-Induced Lithium Corrosion", ChemSusChem, vol. 15, e202101765, pp. 1 - 10, 2022. Wiley-VCH GmbH.
DOI:10.1002/cssc.202101765
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0236_Li_H2O_Corrosion_ChemSusChem.pdf
575.
F. M. Matzik, J. M. Hermann, L. A. Kibler and T. Jacob, "Au(111) Surface Oxidation Kinetics Probed by Electrocatalytic Oxidation of Formic Acid", Journal of the Electrochemical Society, vol. 169/11, 2022. ECS.
DOI:10.1149/1945-7111/aca3d5
574.
T. Geng, S. Zeller, L. A. Kibler, M. U. Ceblin and T. Jacob, "Electrodeposition of Cu onto Au(111) from Deep Eutectic Solvents: Molar Ratio of Salt and Hydrogen Bond Donor", ChemElectroChem, vol. 9, 2022. Wiley VCH.
DOI:10.1002/celc.202101283
573.
S. Bertolini and T. Jacob, "Elucidating active sites and decomposition mechanisms for oxythiomolybdate clusters (Mo2O2Sx, x = 6; 8) as catalyzers for hydrogen evolution reactions", Electrochemical Science Advances, vol. 2, 2022. Wiley VCH.
DOI:10.1002/elsa.202100088
572.
P. V. Menezes, M. M. Elnagar, M. Al-Shakran, M. Eckl, P. W. Menezes, L. A. Kibler and T. Jacob, "In-Liquid Plasma for Surface Engineering of Cu Electrodes with Incorporated SiO! Nanoparticles: From Micro to Nano", Advanced Functional Materials, vol. 32(6), 2107058, pp. 1 - 12, 2022. Wiley-VCH GmbH.
DOI:10.1002/adfm.202107058
571.
T. Geng, B. Schick, M. Uhl, A. J. C. Kühne, L. A. Kibler, M. U. Ceblin and T. Jacob, "Influence of Chloride and Nitrate Anions on Copper Electrodeposition onto Au(111) from Deep Eutectic Solvents", ChemElectroChem, 2022. Wiley.
DOI:https://doi.org/10.1002/celc.202101263
570.
M. -. Heubach, F. M. Schütt, L. A. Kibler, A. Abdelrahman and T. Jacob, "Initial Stages of Sodium Deposition onto Au(111) from [MPPip][TFSI]: An In‐Situ STM Study for Sodium‐Ion Battery Electrolytes", ChemElectroChem, vol. 20, 2022. Wiley.
DOI:https://doi.org/10.1002/celc.202200935
569.
C. K. Jung, D. Kmiec, L. Koepke, F. Zech, T. Jacob, K. M. J. Sparrer and F. Kirchhoff, "Omicron: what makes the latest SARS-CoV-2 variant so concerning?", Journal of Virology, vol. 96, 2022. ASM Journals.
DOI:10.1128/jvi.02077-21
568.
B. Kirchhoff, C. K. Jung, H. Jónsson, D. Fantauzzi and T. Jacob, "Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes", The Journal of Physical Chemistry, vol. 126, pp. 6773–6781, 2022. ACS Publications.
DOI:10.1021/acs.jpcc.2c00472
567.
M. M. Elnagar, L. A. Kibler and T. Jacob, "Structural Evolution of Au Electrodes during Cathodic Corrosion: Initial Stages of Octahedral-Nanocrystal Growth", Journal of The Electrochemical Society, vol. 169/10, 2022. ECS.
DOI:10.1149/1945-7111/ac9930
566.
P. Schüler, S. Sengupta, S. Zaubitzer, F. Fiesinger, S. Dongmo, H. Görls, M. Wohlfahrt-Mehrens, M. Van den Borg, D. Gaissmaier, S. Krieck, M. Marinaro, T. Jacob and M. Westerhausen, "Suitability of Carbazolyl Hauser and Turbo-Hauser Bases as Magnesium-Based Electrolytes", European Journal of Inorganic Chemistry, vol. 2022, 2022. Wiley VCH.
DOI:10.1002/ejic.202200149
565.
M. Eckl, Y. Mattausch, C. K. Jung, S. Kirsch, L. Schmidt, G. Huebner, J. E. Mueller, L. A. Kibler and T. Jacob, "The influence of platinum surface oxidation on the performance of a PEM fuel cell – probing changes of catalytically active surface sites on a polycrystalline platinum electrode for the oxygen reduction reaction", Electrochemical Science Advances, vol. 2, 2022. Wiley.
DOI:10.1002/elsa.202100049

2021

564.
M. M. Elnagar, T. Jacob and L. A. Kibler, "Cathodic corrosion of Au in aqueous methanolic alkali metal hydroxide electrolytes: Notable role of water", Electrochemical Science Advances, vol. 2, no. 6, Dec. 2021. Wiley.
DOI:10.1002/elsa.202100175
File:https://doi.org/10.1002%2Felsa.202100175
563.
F. Zech, D. Schniertshauer, C. K. Jung, A. Herrmann, A. Cordsmeier, Q. Xie, R. Nchioua, C. Prelli Bozzo, M. Volcic, L. Koepke, J. A. Müller, J. Krüger, S. Heller, S. Stenger, M. Hoffmann, S. Pöhlmann, A. Kleger, T. Jacob, K. -. Conzelmann, A. Ensser, K. M. J. Sparrer and F. Kirchhoff, "Spike residue 403 affects binding of coronavirus spikes to human ACE2", Nature Communications, vol. 12(1) 6855 (2021), pp. 1 - 10, Nov. 2021. Springer Nature.
DOI:10.1038/s41467-021-27180-0
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0227_RaTG13_Spike_Peptid_NatComm.pdf
562.
S. Maloul, M. Van den Borg, C. Müller, L. Zedler, A. Mengele, D. Gaissmaier, T. Jacob, S. Rau, B. Dietzek and C. Streb, "Multifunctional Polyoxometalate Platforms for Supramolecular Light-Driven Hydrogen Evolution", Chemistry—A European Journal, vol. 27, pp. 16846 - 16852, Nov. 2021. Wiley-VCH GmbH.
DOI:10.1002/chem.202103817
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0231_POM_Ligand_HER_ChemEurJ.pdf