2022

626.
Bertolini, S.; Jacob, T.
Elucidating active sites and decomposition mechanisms for oxythiomolybdate clusters (Mo2O2Sx, x = 6; 8) as catalyzers for hydrogen evolution reactions
Electrochemical Science Advances, 2
2022
Publisher: Wiley VCH
DOI:10.1002/elsa.202100088
625.
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
624.
Geng, T.; Schick, B.; Uhl, M.; Kühne, A. J. C.; Kibler, L.A.; Ceblin, M. U.; Jacob, T.
Influence of Chloride and Nitrate Anions on Copper Electrodeposition onto Au(111) from Deep Eutectic Solvents
ChemElectroChem
2022
Publisher: Wiley
DOI:https://doi.org/10.1002/celc.202101263
623.
Heubach, M.-K.; Schütt, F. M.; Kibler, L.A.; Abdelrahman, A.; Jacob, T.
Initial Stages of Sodium Deposition onto Au(111) from [MPPip][TFSI]: An In‐Situ STM Study for Sodium‐Ion Battery Electrolytes
ChemElectroChem, 20
2022
Publisher: Wiley
DOI:https://doi.org/10.1002/celc.202200935
622.
Jung, Ch. K.; Kmiec, D.; Koepke, L.; Zech, F.; Jacob, T.; Sparrer, K. M. J.; Kirchhoff, F.
Omicron: what makes the latest SARS-CoV-2 variant so concerning?
Journal of Virology, 96
2022
Publisher: ASM Journals
ISSN: 0022-538X.
DOI:10.1128/jvi.02077-21
621.
Kirchhoff, B.; Jung, Ch. K.; Jónsson, H.; Fantauzzi, D.; Jacob, T.
Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes
The Journal of Physical Chemistry, 126 :6773–6781
2022
Publisher: ACS Publications
DOI:10.1021/acs.jpcc.2c00472
620.
Elnagar, M. M.; Kibler, L.A.; Jacob, T.
Structural Evolution of Au Electrodes during Cathodic Corrosion: Initial Stages of Octahedral-Nanocrystal Growth
Journal of The Electrochemical Society, 169/10
2022
Publisher: ECS
DOI:10.1149/1945-7111/ac9930
619.
Schüler, P.; Sengupta, S.; Zaubitzer, S.; Fiesinger, F.; Dongmo, S.; Görls, H.; Wohlfahrt-Mehrens, M.; Van den Borg, M.; Gaissmaier, D.; Krieck, S.; Marinaro, M.; Jacob, T.; Westerhausen, M.
Suitability of Carbazolyl Hauser and Turbo-Hauser Bases as Magnesium-Based Electrolytes
European Journal of Inorganic Chemistry, 2022
2022
Publisher: Wiley VCH
DOI:10.1002/ejic.202200149
618.
Eckl, M.; Mattausch, Y.; Jung, Ch. K.; Kirsch, S.; Schmidt, L.; Huebner, G.; Mueller, J. E.; Kibler, L.A.; Jacob, T.
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, 2
2022
Publisher: Wiley
DOI:10.1002/elsa.202100049

2021

617.
Elnagar, Mohamed M.; Jacob, Timo; Kibler, Ludwig A.
Cathodic corrosion of Au in aqueous methanolic alkali metal hydroxide electrolytes: Notable role of water
Electrochemical Science Advances, 2 (6)
December 2021
Publisher: Wiley
DOI:10.1002/elsa.202100175
File:https://doi.org/10.1002%2Felsa.202100175
616.
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
November 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
615.
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
November 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
614.
613.
Jung, Ch. K.; Braunwarth, L.; Sinyavskiy, A.; Jacob, T.
Thermodynamic Description of Interfaces Applying the 2PT Method on ReaxFF Molecular Dynamics Simulations
The Journal of Physical Chemistry, 125 :24663 − 24670
November 2021
Publisher: 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
612.
Al Ktash, M.; Stefanakis, M.; Englert, T.; Drechsel, M. L.; Stiedl, J.; Green, S.; Jacob, T.; Boldrini, B.; Ostertag, E.; Rebner, K.; Brecht, M.
UV Hyperspectral Imaging as Process Analytical Tool for the Characterization of Oxide Layers and Copper States on Direct Bonded Copper
Sensors, 21, 7332 :1 - 14
November 2021
Publisher: 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
611.
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
October 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
610.
Bertolini, Samuel; Jacob, Timo
Capturing polysulfides by sulfurized-polyacrylonitrile in lithium-sulfur batteries and the sulfur-chain effects through Density Functional Theory
Electrochemical Science Advances
October 2021
Publisher: Wiley
DOI:10.1002/elsa.202100129
609.
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
September 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
608.
Kirchhoff, B.; Ivanov, A.; Skúlason, E.; Jacob, T.; Fantauzzi, D.; Jónsson, H.
Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene
Journal of Chemical Theory and Computation, 17 :6405 - 6415
September 2021
Publisher: American Chemical Society
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
607.
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
August 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
606.
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
August 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
605.
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
August 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
604.
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
June 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
603.
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
May 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
602.
Hermann, J. M.; Müller, H.; Daccache, L.; Adler, Ch.; Keller, S.; Metzler, M.; Jacob, T.; Kibler, L.A.
Formic acid oxidation reaction on Au(111) electrodes modified with 4-mercaptopyridine SAM
Electrochimica Acta, 388 (2021) 138547 :1 - 14
May 2021
Publisher: 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