Publications - Articles

2022

541.
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, 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
540.
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, 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
539.
S. Bertolini and T. Jacob, "Valence energy correction for electron reactive force field", Journal of Computational Chemistry, vol. 43(12), pp. 870 - 877, 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
538.
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
537.
P. V. Menezes, M. M. Elnagar, M. Al-Shakran, M. Eckl, P. W. Menezes, L. 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
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0235_In-Liquid_Plasma_CuO2_SiO2_AdvFunctMater.pdf
536.
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, 2022. Elsevier B.V..
DOI:10.1016/j.jechem.2021.08.070
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0234_Li-SPAN_II_JEnergChem.pdf
535.
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

2021

534.
S. Bertolini and T. Jacob, "Density Functional Theory Studies on Sulfur−Polyacrylonitrile as a Cathode Host Material for Lithium−Sulfur Batteries", ACS OMEGA, vol. 6, pp. 9700 - 9708, 2021. American Chemical Society, http://pubs.acs.org/journal/acsodf.
DOI:10.1021/acsomega.0c06240
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0215_Li-SPAN_I_ACS-Omega.pdf
533.
T. Englert, J. Stiedl, S. Green, T. Jacob, T. Chassé and K. Rebner, "Quantifying flux residues after soldering on technical copper using ultraviolet visible (UV–Vis) spectroscopy and multivariate analysis", Microelectronics Reliability, vol. 125 (2021) 114367, pp. 1 - 9, 2021. Elsevier Ltd..
DOI:10.1016/j.microrel.2021.114367
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0218_UV-Vis_Cu_Residues_MicroelectronReliab.pdf
532.
B. Kirchhoff, Jónsson, A. O. Dohn, T. Jacob and H. Jónsson, "Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations", Journal of Chemical Theory and Computation, vol. 17 (9), pp. 5863 − 5875, 2021. American Chemical Society.
DOI:10.1021/acs.jctc.1c00522
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0226_SAFIRES_JChemTheoryComput.pdf
531.
[English] M. M. Elnagar, J. M. Hermann, T. Jacob and L. Kibler, "An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy", Electrochmimica Acta, vol. 372, pp. 2 - 12, 2021. Elsevier.
DOI:doi.org/10.1016/j.electacta.2021.137867
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0211_Au_cathodic_corrosion_ElectrochimActa.pdf
530.
M. Van den Borg, D. Gaissmaier, D. Fantauzzi, E. Knobbe and T. Jacob, "Theoretical studies on the initial oxidation of metallic lithium anodes", Applied Surface Science, vol. 555 (2021) 149447, pp. 1 - 12, 2021. Elsevier B.V..
DOI:10.1016/j.apsusc.2021.149447
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0217_Li-O_ApplSurfSci.pdf
529.
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, 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
528.
J. M. Hermann, A. Abdelrahman, T. Jacob and L. Kibler, "The Effect of pH and Anion Adsorption on Formic Acid Oxidation on Au(111) Electrodes", Electrochimica Acta, vol. 385 (2021) 138279, pp. 1 - 10, 2021. Elsevier Ltd..
DOI:10.1016/j.electacta.2021.138279
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0213_HCOOH_pH_Anion_Au111_ElectrochimActa.pdf
527.
S. Sikdar, P. V. Menezes, R. Maccione, T. Jacob and P. L. Menezes, "Plasma Electrolytic Oxidation (PEO) Process—Processing, Properties, and Applications", Nanomaterials, vol. 11, 1375, pp. 1 - 40, 2021. MDPI.
DOI:10.3390/ nano11061375
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0222_PEO_Plama_Review_Nanomaterials.pdf
526.
D. Mitoraj, I. Krivtsov, C. Li, A. Rajagopal, C. Im, C. Adler, K. Köble, O. Khainakova, J. Hniopek, C. Neumann, A. Turchanin, I. da Silva, M. Schmitt, R. Leiter, T. Lehnert, J. Popp, U. Kaiser, T. Jacob, C. Streb, B. Dietzek and R. Beranek, "A Study in Red: The Overlooked Role of Azo-Moieties in Polymeric Carbon Nitride Photocatalysts with Strongly Extended Optical Absorption", Chemistry—A European Journal, vol. 27, pp. 17188 – 17202, 2021. Wiley-VCH GmbH.
DOI:10.1002/chem.202102945
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0232_Red_Carbon_Nitride_ChemEurJ.pdf
525.
T. Englert, F. Gruber, J. Stiedl, S. Green, T. Jacob, K. Rebner and W. Grählert, "Use of Hyperspectral Imaging for the Quantification of Organic Contaminants on Copper Surfaces for Electronic Applications", Sensors, vol. 21, 5595, pp. 1 - 14, 2021. MDPI.
DOI:doi.org/10.3390/s21165595
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0230_Hyperspectral_Imaging_Sensors.pdf
524.
J. E. Mueller, H. Hoffmannova, T. Hiratoko, P. Krtil and T. Jacob, "Structural evolution of a PtRu catalyst in the oxidation of an organic molecule", Journal of Catalysis, vol. 398 (2021) 89-101, pp. 89 - 101, 2021. Elsevier Inc..
DOI:10.1016/j.jcat.2021.04.001
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0220_PtRu_Bifunctionality_JCatal.pdf
523.
M. S. Tacca, T. Jacob and E. C. Goldberg, "Influence of surface states on the conductance spectra for Co adsorbed on Cu(111)", PHYSICAL REVIEW B, vol. 103, pp. 245419-1 - 245419-16, 2021. American Physical Society.
DOI:10.1103/PhysRevB.103.245419
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0224_Co_Cu_conductance_PhysRevB.pdf
522.
D. Gao, R. Liu, S. Liu, S. Greiner, M. Anjass, J. Biskupek, U. Kaiser, H. Braun, T. Jacob and C. Streb, "Electrocatalytic Oxygen Evolution by Hierarchically Structured Cobalt−Iron Composites", ACS Applied Materials & Interfaces, vol. 13, pp. 19048 - 19054, 2021. American Chemical Society.
DOI:10.1021/acsami.1c03618
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0221_OER_CoFe-Composites_ACSApplMatInt.pdf
521.
F. M. Schuett, S. Zeller, M. Eckl, F. M. Matzik, M. Heubach, T. Geng, J. M. Hermann, M. Uhl, L. Kibler, A. K. Engstfeld and T. Jacob, "Versatile 3D-Printed Micro-Reference Electrodes for Aqueous and Non-Aqueous Solutions", Angewandte Chemie International Edition, vol. 60, pp. 22783 - 22790, 2021. Wiley-VCH GmbH.
DOI:10.1002/anie.202105871
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0229_Micro_ReferenceELectrode_AngewChemIntEd_e.pdf
520.
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, 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
519.
H. K. Hassan, A. Galal, N. F. Atta and T. Jacob, "Iron-based perovskites-reduced graphene oxide as possible cathode materials for rechargeable iron-ion battery", Journal of Alloys and Compounds, vol. 870 (2021) 159383, pp. 1 - 10, 2021.
DOI:10.1016/j.jallcom.2021.159383
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0219_Fe-Perovskites_GrapheneOxide_JAlloysCompd.pdf
518.
C. K. Jung, L. Braunwarth, A. Sinyavskiy and T. Jacob, "Thermodynamic Description of Interfaces Applying the 2PT Method on ReaxFF Molecular Dynamics Simulations", The Journal of Physical Chemistry, vol. 125, pp. 24663 − 24670, 2021. American Chemical Society.
DOI:10.1021/acs.jpcc.1c07327
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0223_2PT_Thermodynamics_JPhysChemC.pdf
517.
M. Al Ktash, M. Stefanakis, T. Englert, M. L. Drechsel, J. Stiedl, S. Green, T. Jacob, B. Boldrini, E. Ostertag, K. Rebner and M. Brecht, "UV Hyperspectral Imaging as Process Analytical Tool for the Characterization of Oxide Layers and Copper States on Direct Bonded Copper", Sensors, vol. 21, 7332, pp. 1 - 14, 2021. MDPI.
DOI:10.3390/s21217332
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0233_UV_Hyperspectral_Imaging_Sensors.pdf