2019

540.
C. Jung, L. Braunwarth and T. Jacob, "Grand Canonical ReaxFF Molecular Dynamics Simulations for Catalytic Reactions" , Journal of Chemical Theory and Computation , vol. 15 , pp. 5810−5816 , Sep. 2019. ACS Publications .
DOI:10.1021/acs.jctc.9b00687
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0192_GCMD_JChemTheoComp.pdf
539.
X. Lv, W. Wei, P. Zhao, D. Er, B. Huang, Y. Dai and T. Jacob, "Oxygen-terminated BiXenes and derived single atom catalysts for the hydrogen evolution reaction" , Journal of Catalysis , vol. 378 , pp. 97–103 , Sep. 2019. Elsevier Inc. .
DOI:10.1016/j.jcat.2019.08.019
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0191_MXenes_JCatal.pdf
538.
A. Abdelrahman, J. M. Hermann, T. Jacob and L. Kibler, "Adsorption of Acetate on Au(111): An in-situ Scanning Tunnelling Microscopy Study and Implications on Formic Acid Electrooxidation" , ChemPhysChem , vol. 20 , pp. 2989 – 2996 , Aug. 2019. Wiley-VCH .
DOI:10.1002/cphc.201900560
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0193_Acetate_Au111_ChemPhysChem.pdf
537.
M. Anjass, K. Kastner, F. Nägele, M. Ringenberg, J. F. Boas, J. Zhang, A. M. Bond, T. Jacob and C. Streb, "Antwort auf den Kommentar zu „Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochvalentem molekularen Vanadium(V) Oxid-Cluster“" , Angewandte Chemie , vol. 131 , pp. 10151 – 10153 , Jul. 2019. Wiley-VCH .
DOI:10.1002/ange.201902460
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_de.pdf
536.
M. Anjass, K. Kastner, F. Nägele, M. Ringenberg, J. F. Boas, J. Zhang, A. M. Bond, T. Jacob and C. Streb, "Reply to Comment on Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster" , Angewandte Chemie , vol. 58 , pp. 10048 – 10050 , Jul. 2019. Wiley-VCH .
DOI:10.1002/anie.201902460
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_en.pdf
535.
M. Eckl, S. Zaubitzer, C. Köntje, A. Farkas, L. Kibler and T. Jacob, "An Electrochemical Route for Hot Alkaline Blackening of Steel: A Nitrite Free Approach" , Surfaces , vol. 2 , pp. 1 - 12 , 2019. MDPI .
DOI:10.3390/surfaces2020000
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0187_Bruenieren_Surfaces.pdf
534.
533.
A. Gili, L. Schlicker, M. F. Bekheet, O. Görke, D. Kober, U. Simon, P. Littlewood, R. Schomäker, A. Doran, D. Gaissmaier, T. Jacob, S. Selve and A. Gurlo, "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 , vol. 9 , pp. 6999-7011 , 2019. ACS Publications .
DOI:10.1021/acscatal.9b00733
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0189_Ni_C_ACSCatal.pdf
532.
A. A. Rulev, A. V. Sergeev, L. V. Yashina, T. Jacob and D. M. Itkis, "Electromigration in Lithium Whisker Formation Plays Insignificant Role during Electroplating" , ChemElectroChem , vol. 6 , pp. 1324 – 1328 , 2019. Wiley-VCH Verlag GmbH & Co.KKaA .
DOI:10.1002/celc.201801652
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0184_Li-dendrites_ChemElectroChem.pdf
531.
[englisch] F. Li, W. Wei, H. Wang, B. Huang, Y. Dai and T. Jacob, "Intrinsic Electric Field-Induced Properties in Janus MoSSe van der Waals Structures" , The Journal of Physical Chemistry Letters 2019 , vol. 10 , pp. 559 - 565 , 2019. ACS Publications .
DOI:10.1021/acs.jpclett.8b03463
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0183_MoSSe_vdW_Janus_JCPLett.pdf
530.
L. Blume, U. Sauter and T. Jacob, "Non-linear kinetics of the lithium-solid polymer electrolyte interface" , Electrochimica Acta , vol. 318 , pp. 551 - 559 , 2019. Elsevier Ltd .
DOI:10.1016/j.electacta.2019.06.070
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0186_NonLinear_Kinetics_Batteries_ElectrochimActa.pdf
529.
T. E. Gorelik, R. Neder, M. W. Terban, Z. Lee, X. Mu, C. Jung, T. Jacob and U. Kaiser, "Towards quantitative treatment of electron pair distribution function" , Acta Crystallographica , vol. 75 , pp. 532–549 , 2019. International Union of Crystallography .
DOI:10.1107/S205252061900670X
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0188_PDF_water_ActaCrystB.pdf
528.
M. U. Ceblin, S. Zeller, L. Kibler, T. Jacob and B. Schick, "Electrodeposition of Ag onto Au(111) from Deep Eutectic Solvents" , ChemElectroChem , vol. 6 , pp. 141 – 146 , 2019. Wiley-VCH .
DOI:10.1002/celc.201801192
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0180_Ag_DES_Ceblin_ChemElectroChem.pdf
527.
A. Galal, H. K. Hassan, N. F. Atta and T. Jacob, "Energy and cost-efficient nano-Ru-based perovskites/RGO composites for application in high performance supercapacitors " , Journal of Colloid and Interface Science , vol. 538 , pp. 578 – 586 , 2019. Elsevier Inc. .
DOI:10.1016/j.jcis.2018.12.018
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0179_Ru-perovskite_RGO_Part-II_JCollInterfSoc.pdf
526.
D. Gaissmaier, D. Fantauzzi and T. Jacob, "First principles studies of self-diffusion processes on metallic lithium surfaces" , The Journal of Chemical Physics , vol. 150 , no. 041723 , pp. 1 - 14 , 2019. AIP Publishing .
DOI:10.1063/1.5056226
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0181_Li_self-diffusion_JCP.pdf
525.
A. Rajagopal, F. Venter, T. Jacob, L. Petermann, S. Rau, S. Tschierlei and C. Streb, "Homogeneous visible light-driven hydrogen evolution by the molecular molybdenum sulfide model [Mo2S12]2" , Sustainable Energy Fuels , vol. 3 , pp. 92 – 95 , 2019. The Royal Society of Chemistry .
DOI:10.1039/c8se00346g
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0182_HER_Mo2S12_SusEnergFuels.pdf

2018

524.
J. M. Hermann, Y. Mattausch, A. Weiß, T. Jacob and L. Kibler, "Enhanced Electrocatalytic Oxidation of Formic Acid on Au(111) in the Presence of Pyridine " , Journal of The Electrochemical Society , vol. 165 , pp. J3192 - J3198 , Okt. 2018.
DOI:10.1149/2.0251815jes
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0178_Pyridine_HCOOH_Au111_Adzic-Issue_JElectrochemSoc.pdf
523.
A. Scalia, A. Varzi, A. Lamberti, T. Jacob and S. Passerini, "Portable High Voltage Integrated Harvesting-Storage Device Employing Dye-Sensitized Solar Module and All-Solid-State Electrochemical Double Layer Capacitor" , Frontiers in Chemistry , vol. 6 , no. 443 , pp. 1 - 8 , Sep. 2018.
DOI:10.3389/fchem.2018.00443
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0176_SolarSupercap_FrontChem.pdf
522.
S. Hu, W. Xu, X. Qiu, J. Zhu, J. Björk, T. Jacob, C. Yuan, J. Zou, L. Xu, L. Cai, H. Ju, H. Ma, J. Pan, Z. Zha, M. Bao, Q. Sun, M. Liu and X. Yu, "Direct Formation of C−C Double-Bonded Structural Motifs by On-Surface Dehalogenative Homocoupling of gem- Dibromomethyl Molecules" , ACS Nano , vol. 12 , pp. 7959−7966 , Jul. 2018.
DOI:10.1021/acsnano.8b02459
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0177_CC_DoubleBond_ACSNano.pdf
521.
E. A. Heider, T. Jacob and L. Kibler, "Platinum overlayers on PtxRu1−x(111) electrodes: Tailoring the ORR activity by lateral strain and ligand effects" , Journal of Electroanalytical Chemistry , vol. 819 , pp. 289–295 , 2018. Elsevier B.V. .
DOI:10.1016/j.jelechem.2017.10.063
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0168_PtRu_Parsons-Issue_JElectroanalChem.pdf
520.
H. Müller, M. Metzler, N. Barth, B. Conings, H. Boyen, T. Jacob and L. Kibler, "Electrocatalytic Behavior of Pd and Pt Nanoislands Deposited onto 4,4′-Dithiodipyridine SAMs on Au(111)" , Electrocatalysis , vol. 9 , pp. 505 – 513 , 2018. Springer Science+Business Media .
DOI:10.1007/s12678-018-0467-1
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0172_Pt_Pd_SAM_Au_Electrocatal.pdf
519.
M. Dave, A. Rajagopal, M. Damm-Ruttensperger, B. Schwarz, F. Nägele, L. Daccache, D. Fantauzzi, T. Jacob and C. Streb, "Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts" , Sustainable Energy Fuels , vol. 2 , pp. 1020 – 1026 , 2018. The Royal Society of Chemistry .
DOI:10.1039/c7se00599g
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0171_Mo2S12_SusEnergFuels.pdf
518.
T. Pajkossy, C. Müller and T. Jacob, "The metal–ionic liquid interface as characterized by impedance spectroscopy and in situ scanning tunneling microscopy" , Phys.Chem.Chem.Phys , vol. 20 , pp. 21241 - 21250 , 2018. Royal Society of Chemistry .
DOI:10.1039/c8cp02074d
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0175_IL_Summary_PCCP.pdf
517.
A. Galal, H. K. Hassan, N. F. Atta and T. Jacob, "Effect of Redox Electrolyte on the Specific Capacitance of SrRuO3− Reduced Graphene Oxide Nanocomposites" , The Journal of Physical Chemistry , vol. 122 , pp. 11641 - 11650 , 2018. ACS Publications .
DOI:10.1021/acs.jpcc.8b02068
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0173_SrRuO3_RGO_JPC-C.pdf
516.
L. Kibler, J. M. Hermann, A. Abdelrahman, A. A. El-Aziz and T. Jacob, "New insights on hydrogen evolution at Au single crystal electrodes" , Current Opinion in Electrochemistry , vol. 9 , pp. 265–270 , 2018.
DOI:0.1016/j.coelec.2018.05.013
Datei:fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0174_HER_Au_CurrOpElectrochem.pdf