2022

592.
Jacob, T.; Kibler, L.A.; Sheasha, Y.
Electrolyte for Chromium Deposition from CR(III)-Compounds
April 2022
591.
Liu, X.; Jacob, T.; Gao, W.
Progress of fundamental mechanism of formic acid decomposition and electrooxidation
Journal of Energy Chemistry, 70 :292–309
2022
Publisher: 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
590.
Henkel, P.; Zahn, S.; Lorenz, J.; Jacob, T.; Janek, J.; Mollenhauer, D.
Temperature-dependent Li vacancy diffusion in Li4Ti5O12 by means of first principles molecular dynamic simulations
Phys. Chem. Chem. Phys., 24 :5301–5316
2022
Publisher: 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
589.
Bertolini, S.; Jacob, T.
Valence energy correction for electron reactive force field
Journal of Computational Chemistry, 43(12) :870 - 877
2022
Publisher: 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
588.
Bertolini, S.; Jacob, T.
Atomistic discharge studies of sulfurized-polyacrylonitrile through ab initio molecular dynamics
Electrochimica Acta 403 (2022), 139538 :1 - 7
2022
Publisher: 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
587.
Van den Borg, M.; Gaissmaier, D.; Fantauzzi, D.; Knobbe, E.; Jacob, T.
Atomistic Studies on Water-Induced Lithium Corrosion
ChemSusChem, 15, e202101765 :1 - 10
2022
Publisher: 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
586.
Bertolini, S.; Jacob, T.
Sulfurized-polyacrylonitrile in lithium-sulfur batteries: Interactions between undercoordinated carbons and polymer structure under low lithiation
Journal of Energy Chemistry, 66 (2022) :587–596
2022
Publisher: 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
585.
Menezes, P. V.; Elnagar, M. M.; Al-Shakran, M.; Eckl, M.; Menezes, P. W.; Kibler, L.A.; Jacob, T.
In-Liquid Plasma for Surface Engineering of Cu Electrodes with Incorporated SiO! Nanoparticles: From Micro to Nano
Advanced Functional Materials, 32(6), 2107058 :1 - 12
2022
Publisher: 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

2021

584.
Bertolini, S.; Jacob, T.
Density Functional Theory Studies on Sulfur−Polyacrylonitrile as a Cathode Host Material for Lithium−Sulfur Batteries
ACS OMEGA, 6 :9700 - 9708
2021
Publisher: American Chemical Society
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
583.
[English] Elnagar, M. M.; Hermann, J. M.; Jacob, T.; Kibler, L.A.
An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy
Electrochmimica Acta, 372 :2 - 12
2021
Publisher: 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
582.
Kirchhoff, B.; Jónsson, E. Ö.; Dohn, A. O.; Jacob, T.; Jónsson, H.
Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations
Journal of Chemical Theory and Computation, 17 (9) :5863 − 5875
2021
Publisher: 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
581.
Englert, T.; Stiedl, J.; Green, S.; Jacob, T.; Chassé, T.; Rebner, K.
Quantifying flux residues after soldering on technical copper using ultraviolet visible (UV–Vis) spectroscopy and multivariate analysis
Microelectronics Reliability, 125 (2021) 114367 :1 - 9
2021
Publisher: 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
580.
Van den Borg, M.; Gaissmaier, D.; Fantauzzi, D.; Knobbe, E.; Jacob, T.
Theoretical studies on the initial oxidation of metallic lithium anodes
Applied Surface Science, 555 (2021) 149447 :1 - 12
2021
Publisher: 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
579.
Zech, F.; Schniertshauer, D.; Jung, Ch. K.; Herrmann, A.; Cordsmeier, A.; Xie, Q.; Nchioua, R.; Prelli Bozzo, C.; Volcic, M.; Koepke, L.; Müller, J. A.; Krüger, J.; Heller, S.; Stenger, S.; Hoffmann, M.; Pöhlmann, S.; Kleger, A.; Jacob, T.; Conzelmann, K.-K.; Ensser, A.; Sparrer, K. M. J.; Kirchhoff, F.
Spike residue 403 affects binding of coronavirus spikes to human ACE2
Nature Communications, 12(1) 6855 (2021) :1 - 10
2021
Publisher: 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
578.
Sikdar, S.; Menezes, P. V.; Maccione, R.; Jacob, T.; Menezes, P. L.
Plasma Electrolytic Oxidation (PEO) Process—Processing, Properties, and Applications
Nanomaterials, 11, 1375 :1 - 40
2021
Publisher: 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
577.
Hermann, J. M.; Abdelrahman, A.; Jacob, T.; Kibler, L.A.
The Effect of pH and Anion Adsorption on Formic Acid Oxidation on Au(111) Electrodes
Electrochimica Acta, 385 (2021) 138279 :1 - 10
2021
Publisher: 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
576.
Mitoraj, D.; Krivtsov, I.; Li, Ch.; Rajagopal, A.; Im, Ch.; Adler, Ch.; Köble, K.; Khainakova, O.; Hniopek, J.; Neumann, Ch.; Turchanin, A.; da Silva, I.; Schmitt, M.; Leiter, R.; Lehnert, T.; Popp, J.; Kaiser, U.; Jacob, T.; Streb, C.; Dietzek, B.; Beranek, R.
A Study in Red: The Overlooked Role of Azo-Moieties in Polymeric Carbon Nitride Photocatalysts with Strongly Extended Optical Absorption
Chemistry—A European Journal, 27 :17188 – 17202
2021
Publisher: 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
575.
Englert, T.; Gruber, F.; Stiedl, J.; Green, S.; Jacob, T.; Rebner, K.; Grählert, W.
Use of Hyperspectral Imaging for the Quantification of Organic Contaminants on Copper Surfaces for Electronic Applications
Sensors, 21, 5595 :1 - 14
2021
Publisher: 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
574.
Mueller, J. E.; Hoffmannova, H.; Hiratoko, T.; Krtil, P.; Jacob, T.
Structural evolution of a PtRu catalyst in the oxidation of an organic molecule
Journal of Catalysis, 398 (2021) 89-101 :89 - 101
2021
Publisher: 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
573.
Tacca, M. S.; Jacob, T.; Goldberg, E. C.
Influence of surface states on the conductance spectra for Co adsorbed on Cu(111)
PHYSICAL REVIEW B, 103 :245419-1 - 245419-16
2021
Publisher: 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
572.
Gao, D.; Liu, R.; Liu, S.; Greiner, S.; Anjass, M.; Biskupek, J.; Kaiser, U.; Braun, H.; Jacob, T.; Streb, C.
Electrocatalytic Oxygen Evolution by Hierarchically Structured Cobalt−Iron Composites
ACS Applied Materials & Interfaces, 13 :19048 - 19054
2021
Publisher: 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
571.
Schuett, F. M.; Zeller, S.; Eckl, M.; Matzik, F. M.; Heubach, M.-K.; Geng, T.; Hermann, J. M.; Uhl, M.; Kibler, L.A.; Engstfeld, A. K.; Jacob, T.
Versatile 3D-Printed Micro-Reference Electrodes for Aqueous and Non-Aqueous Solutions
Angewandte Chemie International Edition, 60 :22783 - 22790
2021
Publisher: 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
570.
Maloul, S.; Van den Borg, M.; Müller, C.; Zedler, L.; Mengele, A.; Gaissmaier, D.; Jacob, T.; Rau, S.; Dietzek, B.; Streb, C.
Multifunctional Polyoxometalate Platforms for Supramolecular Light-Driven Hydrogen Evolution
Chemistry—A European Journal, 27 :16846 - 16852
2021
Publisher: 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
569.
Hassan, H. K.; Galal, A.; Atta, N. F.; Jacob, T.
Iron-based perovskites-reduced graphene oxide as possible cathode materials for rechargeable iron-ion battery
Journal of Alloys and Compounds, 870 (2021) 159383 :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
568.