2020

576.
[Englisch] Kirchhoff, B.; Braunwarth, L.; Jung, Ch. K.; Jonsson, H.; Fantauzzi, D.; Jacob, T.
Simulations of the Oxidation and Degradation of Platinum Electrocatalysts
Small, 16 :1 - 7 1905159
2020
Publisher: Wiley-VCH
DOI:doi.org/10.1002/smll.201905159
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0195_Pt_Nanoparticles_Small.pdf
575.
[Englisch] Rudnev, A. V.; Ehrenburg, M. R.; Molodkina, E. B.; Abdelrahman, A.; Arenz, M.; Broekmann, P.; Jacob, T.
Structural Changes of Au(111) Single-Crystal Electrode Surface in Ionic Liquids
ChemElectroChem, 7 :501 - 508
2020
Publisher: Wiley-VCH
DOI:DOI: 10.1002/celc.201902010
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0197_Au_111__STM_stability_ChemElectroChem.pdf
574.
Amthor, S.; Braun, H.; Gröne, J.; Nauroozi, D.; Jacob, T.; Rau, S.
Tailored protective groups for surface immobilization of ruthenium dyes
Dalton Transactions, 49 :3735-2742
2020
Publisher: The Royal Society of Chemistry
DOI:10.1039/c9dt03591e
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0199_Ru_photocomplexes_DaltonTrans.pdf
573.
Krivtsov, I.; Mitoraj, D.; Adler, Ch.; Ilkaeva, M.; Sardo, M.; Mafra, L.; Neumann, Ch.; Turchanin, A.; Li, Ch.; Dietzek, B.; Leiter, R.; Biskupek, J.; Kaiser, U.; Im, Ch.; Kirchhoff, B.; Jacob, T.; Beranek, R.
Water-Soluble Polymeric Carbon Nitride Colloidal Nanoparticles for Highly Selective Quasi-Homogeneous Photocatalysis
Angwandte Chemie, 132 :495 - 503
2020
Publisher: Wiley-VCH GmbH & Co. KGaA
DOI:DOI: 10.1002/ange.201913331
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0194_CN_x_AngewandteChemie-de.pdf
572.
[Englisch] Krivtsov, I.; Mitoraj, D.; Adler, Ch.; Ilkaeva, M.; Sardo, M.; Mafra, L.; Neumann, Ch.; Turchanin, A.; Li, Ch.; Dietzek, B.; Leiter, R.; Biskupek, J.; Kaiser, U.; Im, Ch.; Kirchhoff, B.; Jacob, T.; Beranek, R.
Water-Soluble Polymeric Carbon Nitride Colloidal Nanoparticles for Highly Selective Quasi-Homogeneous Photocatalysis
Angewandte Chemie, 59 :487 – 495
2020
Publisher: Wiley-VCH
DOI:DOI: 10.1002/anie.201913331
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0194_CN_x_AngewandteChemie_en.pdf

2019

571.
Jung, Ch. K.; Braunwarth, L.; Jacob, T.
Grand Canonical ReaxFF Molecular Dynamics Simulations for Catalytic Reactions
Journal of Chemical Theory and Computation, 15 :5810−5816 American Chemical Society
September 2019
Publisher: ACS Publications
DOI:10.1021/acs.jctc.9b00687
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0192_GCMD_JChemTheoComp.pdf
570.
Lv, X.; Wei, W.; Zhao, P.; Er, D.; Huang, B.; Dai, Y.; Jacob, T.
Oxygen-terminated BiXenes and derived single atom catalysts for the hydrogen evolution reaction
Journal of Catalysis, 378 :97–103
September 2019
Publisher: Elsevier Inc.
DOI:10.1016/j.jcat.2019.08.019
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0191_MXenes_JCatal.pdf
569.
Abdelrahman, A.; Hermann, J. M.; Jacob, T.; Kibler, L.A.
Adsorption of Acetate on Au(111): An in-situ Scanning Tunnelling Microscopy Study and Implications on Formic Acid Electrooxidation
ChemPhysChem, 20 :2989 – 2996
August 2019
Publisher: Wiley-VCH
DOI:10.1002/cphc.201900560
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0193_Acetate_Au111_ChemPhysChem.pdf
568.
Anjass, M.; Kastner, K.; Nägele, F.; Ringenberg, M.; Boas, J. F.; Zhang, J.; Bond, A. M.; Jacob, T.; Streb, C.
Antwort auf den Kommentar zu „Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochvalentem molekularen Vanadium(V) Oxid-Cluster“
Angewandte Chemie, 131 :10151 – 10153
July 2019
Publisher: Wiley-VCH
DOI:10.1002/ange.201902460
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_de.pdf
567.
Anjass, M.; Kastner, K.; Nägele, F.; Ringenberg, M.; Boas, J. F.; Zhang, J.; Bond, A. M.; Jacob, T.; Streb, C.
Reply to Comment on Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster
Angewandte Chemie, 58 :10048 – 10050
July 2019
Publisher: Wiley-VCH
DOI:10.1002/anie.201902460
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_en.pdf
566.
Gili, A.; Schlicker, L.; Bekheet, M. F.; Görke, O.; Kober, D.; Simon, U.; Littlewood, P.; Schomäker, R.; Doran, A.; Gaissmaier, D.; Jacob, T.; Selve, Sören; Gurlo, A.
Revealing the Mechanism of Multiwalled Carbon Nanotube Growth on Supported Nickel Nanoparticles by in Situ Synchrotron X‐ray Diffraction, Density Functional Theory, and Molecular Dynamics Simulations
ACS Catalysis, 9 :6999-7011 American Chemical Society
June 2019
Publisher: ACS Publications
DOI:10.1021/acscatal.9b00733
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0189_Ni_C_ACSCatal.pdf
565.
Blume, L.; Sauter, U.; Jacob, T.
Non-linear kinetics of the lithium-solid polymer electrolyte interface
Electrochimica Acta, 318 :551 - 559
June 2019
Publisher: Elsevier Ltd
DOI:10.1016/j.electacta.2019.06.070
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0186_NonLinear_Kinetics_Batteries_ElectrochimActa.pdf
564.
Galal, A.; Hassan, H. K.; Atta, N. F.; Abdel-Mageed, A. M.; Jacob, T.
Synthesis, structural and morphological characterizations of nano-Ru-based perovskites/RGo composites
Scientific Reports, 9:7948
May 2019
Publisher: Springer Nature
DOI:10.1038/s41598-019-43726-1
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0185_Ru-perovskite_RGO_SciReports.pdf
563.
Gorelik, T. E.; Neder, R.; Terban, M. W.; Lee, Z.; Mu, X.; Jung, Ch. K.; Jacob, T.; Kaiser, U.
Towards quantitative treatment of electron pair distribution function
Acta Crystallographica, 75 :532–549
May 2019
Publisher: International Union of Crystallography
DOI:10.1107/S205252061900670X
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0188_PDF_water_ActaCrystB.pdf
562.
Eckl, M.; Zaubitzer, S.; Köntje, C.; Farkas, A.; Kibler, L.A.; Jacob, T.
An Electrochemical Route for Hot Alkaline Blackening of Steel: A Nitrite Free Approach
Surfaces, 2 :1 - 12
March 2019
Publisher: MDPI
DOI:10.3390/surfaces2020000
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0187_Bruenieren_Surfaces.pdf
561.
Rulev, A. A.; Sergeev, A. V.; Yashina, L. V.; Jacob, T.; Itkis, D. M.
Electromigration in Lithium Whisker Formation Plays Insignificant Role during Electroplating
ChemElectroChem, 6 :1324 – 1328
2019
Publisher: Wiley-VCH Verlag GmbH & Co.KKaA
DOI:10.1002/celc.201801652
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0184_Li-dendrites_ChemElectroChem.pdf
560.
[englisch] Li, F.; Wei, W.; Wang, H.; Huang, B.; Dai, Y.; Jacob, T.
Intrinsic Electric Field-Induced Properties in Janus MoSSe van der Waals Structures
The Journal of Physical Chemistry Letters 2019, 10 :559 - 565
January 2019
Publisher: ACS Publications
DOI:10.1021/acs.jpclett.8b03463
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0183_MoSSe_vdW_Janus_JCPLett.pdf
559.
Ceblin, M. U.; Zeller, S.; Kibler, L.A.; Jacob, T.; Schick, B.
Electrodeposition of Ag onto Au(111) from Deep Eutectic Solvents
ChemElectroChem, 6 :141 – 146
2019
Publisher: Wiley-VCH
DOI:10.1002/celc.201801192
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0180_Ag_DES_Ceblin_ChemElectroChem.pdf
558.
Jacob, T.; Hassan, H. K.; Atta, N. F.; Galal, A.
Energy and cost-efficient nano-Ru-based perovskites/RGO composites for application in high performance supercapacitors
Journal of Colloid and Interface Science, 538 :578 – 586
2019
Publisher: Elsevier Inc.
DOI:10.1016/j.jcis.2018.12.018
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0179_Ru-perovskite_RGO_Part-II_JCollInterfSoc.pdf
557.
Jacob, T.; Fantauzzi, D.; Gaissmaier, D.
First principles studies of self-diffusion processes on metallic lithium surfaces
The Journal of Chemical Physics, 150 (041723) :1 - 14
2019
Publisher: AIP Publishing
DOI:10.1063/1.5056226
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0181_Li_self-diffusion_JCP.pdf
556.
Jacob, T.; Streb, C.; Rau, S.; Rajagopal, A.; Venter, F.; Petermann, L.; Tschierlei, S.
Homogeneous visible light-driven hydrogen evolution by the molecular molybdenum sulfide model [Mo2S12]2
Sustainable Energy Fuels, 3 :92 – 95
2019
Publisher: The Royal Society of Chemistry
DOI:10.1039/c8se00346g
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0182_HER_Mo2S12_SusEnergFuels.pdf

2018

555.
Jacob, T.; Kibler, L.A.; Hermann, J. M.; Mattausch, Y.; Weiß, A.
Enhanced Electrocatalytic Oxidation of Formic Acid on Au(111) in the Presence of Pyridine
Journal of The Electrochemical Society, 165 :J3192 - J3198
October 2018
DOI:10.1149/2.0251815jes
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0178_Pyridine_HCOOH_Au111_Adzic-Issue_JElectrochemSoc.pdf
554.
Jacob, T.; Lamberti, A.; Passerini, S.; Scalia, A.; Varzi, A.
Portable High Voltage Integrated Harvesting-Storage Device Employing Dye-Sensitized Solar Module and All-Solid-State Electrochemical Double Layer Capacitor
Frontiers in Chemistry, 6 (443) :1 - 8
September 2018
DOI:10.3389/fchem.2018.00443
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0176_SolarSupercap_FrontChem.pdf
553.
Ju, H.; Xu, W.; Qiu, X.; Zhu, J.; Björk, J.; Yuan, C.; Zou, J.; Xu, L.; Hu, S.; Jacob, T.; Ma, H.; Pan, J.; Zha, Z.; Bao, M.; Liu, M.; Yu, X.; Cai, L.; Sun, Q.
Direct Formation of C−C Double-Bonded Structural Motifs by On-Surface Dehalogenative Homocoupling of gem- Dibromomethyl Molecules
ACS Nano, 12 :7959−7966
July 2018
DOI:10.1021/acsnano.8b02459
File:/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0177_CC_DoubleBond_ACSNano.pdf
552.
Horvat, S.; Daccache, L.; Jacob, T.; Farkas, A.
Messzelle für die Raman-Spektroskopie an einer Fest-Flüssig-Grenzfläche und Verwendungen hiervon
May 2018