Publications - Articles

2021

561.
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, Nov. 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
560.
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, Nov. 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
559.
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, Oct. 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
558.
S. Bertolini and T. Jacob, "Capturing polysulfides by sulfurized-polyacrylonitrile in lithium-sulfur batteries and the sulfur-chain effects through Density Functional Theory", Electrochemical Science Advances, Oct. 2021. Wiley.
DOI:10.1002/elsa.202100129
557.
F. M. Schuett, S. Zeller, M. Eckl, F. M. Matzik, M. -. Heubach, T. Geng, J. M. Hermann, M. Uhl, L. A. 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, Sep. 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
556.
B. Kirchhoff, A. Ivanov, E. Skúlason, T. Jacob, D. Fantauzzi and H. Jónsson, "Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene", Journal of Chemical Theory and Computation, vol. 17, pp. 6405 - 6415, Sep. 2021. American Chemical Society, https://pubs.acs.org/action/showCitFormats?doi=10.1021/acs.jctc.1c00377&ref=pdf.
DOI:10.1021/acs.jctc.1c00377
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0216_ORR_on_doped_graphene_JCTC.pdf
555.
B. Kirchhoff, E. Ö. 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, Aug. 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
554.
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, Aug. 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
553.
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, Aug. 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
552.
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, Jun. 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
551.
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, May 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
550.
J. M. Hermann, H. Müller, L. Daccache, C. Adler, S. Keller, M. Metzler, T. Jacob and L. A. Kibler, "Formic acid oxidation reaction on Au(111) electrodes modified with 4-mercaptopyridine SAM", Electrochimica Acta, vol. 388 (2021) 138547, pp. 1 - 14, May 2021. Elsevier Ltd..
DOI:10.1016/j.electacta.2021.138547
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0214_HCOOH_4-PyS_Au111_ElectrochimActa.pdf
549.
J. M. Hermann, A. Abdelrahman, T. Jacob and L. A. 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, Apr. 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
548.
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, Apr. 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
547.
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, Apr. 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
546.
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, Mar. 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
545.
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, Mar. 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
544.
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, Mar. 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
543.
[English] M. M. Elnagar, J. M. Hermann, T. Jacob and L. A. 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, Jan. 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
542.
F. M. Schuett, M. -. Heubach, J. Mayer, M. U. Ceblin, L. A. Kibler and T. Jacob, "Electrodeposition of Zinc onto Au(111) and Au(100) from the Ionic Liquid [MPPip][TFSI]", Angewandte Chemie International Edition, vol. 60, pp. 20461 - 20468, 2021. Wiley-VCH GmbH.
DOI:10.1002/anie.202107195
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0225_Zn_deposition_AngewChemIntEd_e.pdf
541.
F. M. Schuett, M. -. Heubach, J. Mayer, M. U. Ceblin, L. A. Kibler and T. Jacob, "Electrodeposition of Zinc onto Au(111) and Au(100) from the Ionic Liquid [MPPip][TFSI]", Angewandte Chemie, vol. 133, pp. 20624 - 20631, 2021. Wiley-VCH GmbH.
DOI:10.1002/ange.202107195
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0225_Zn_deposition_AngewChemIntEd_d.pdf
540.
M. Piescheck, A. Abdelrahman, J. M. Hermann, H. Müller, T. Jacob and L. A. Kibler, "Hydrogen Peroxide Oxidation Reaction on a 4‐Mercaptopyridine Self‐Assembled Monolayer on Au(111) Metallized by Platinum Nanoislands", Electrocatalysis, vol. 12, pp. 264 - 271, 2021. Springer.
DOI:10.1007/s12678-021-00647-w
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0210_H2O2_SAM_AU111_Electrocatal.pdf
539.
M. Hayn, A. Blötz, A. Rodríguez, S. Vidal, N. Preising, L. Ständker, S. Wiese, C. M. Stürzel, M. Harms, R. Gross, C. K. Jung, M. Kiene, T. Jacob, S. Pöhlmann, W. -. Forssmann, J. Münch, K. M. J. Sparrer, K. Seuwen, B. H. Hahn and F. Kirchhoff, "Natural cystatin C fragments inhibit GPR15-mediated HIV and SIV infection without interfering with GPR15L signaling", Immunology and Inflammation, vol. 118, pp. 1 - 11, 2021. PNAS.
DOI:10.1073/pnas.2023776118
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0209_GPR15_CyxC52_PNAS.pdf
538.
[English] M. M. Elnagar, J. M. Hermann, T. Jacob and L. A. Kibler, "Tailoring the electrode surface structure by cathodic corrosion in alkali metal hydroxide solution: Nanostructuring and faceting of Au", Current Opinion in Electrochemistry, vol. 27:100696, pp. 1 - 9, 2021. Elsevier B. V..
DOI:doi.org/10.1016/j.coelec.2021.100696
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0212_CathodicCorrosion_COELEC.pdf
537.
F. M. Schuett, S. Zeller, F. M. Matzik, M. Eckl, M. -. Heubach, T. Geng, J. M. Hermann, M. Uhl, L. A. Kibler, A. K. Engstfeld and T. Jacob, "Versatile 3D-Printed Micro-Reference Electrodes for Aqueous and Non-Aqueous Solutions", Angewandte Chemie, vol. 133, pp. 22965 - 22972, 2021. Wiley-VCH GmbH.
DOI:10.1002/ange.202105871
File:pdfhttps://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0229_Micro_ReferenceELectrode_AngewChemIntEd_d.pdf