2023

675.
Yang, Hongyuan; Menezes, Pramod V.; Dai, Guoliang; Vijaykumar, Gonela; Chen, Ziliang; Al-Shakran, Mohammad; Jacob, Timo; Driess, Matthias; Menezes, Prashanth W.
Activation of nickel foam through in-liquid plasma-induced phosphorus incorporation for efficient quasi-industrial water oxidation and selective oxygenation of organics
Applied Catalysis B: Environmental, 324 :122249
May 2023
Publisher: Elsevier BV
DOI:10.1016/j.apcatb.2022.122249
File:https://doi.org/10.1016%2Fj.apcatb.2022.122249
674.
Schuster, Philipp A.; Uhl, Matthias; Kissmann, Ann-Kathrin; Jansen, Felicitas; Geng, Tanja; Ceblin, Maximilian; Rosenau, Frank; Jacob, Timo; Kuehne, Alexander
Fully-conjugated polyimidazole nanoparticles as active material in bi-odegradable electrodes for organic batteries
January 2023
Publisher: American Chemical Society (ACS)
DOI:10.26434/chemrxiv-2023-lnwj8
File:https://doi.org/10.26434%2Fchemrxiv-2023-lnwj8
673.
Bord, Julia; Kirchhoff, Björn; Baldofski, Matthias; Jung, Christoph; Jacob, Timo
An Atomistic View of Platinum Cluster Growth on Pristine and Defective Graphene Supports
Small :2207484
January 2023
Publisher: Wiley
DOI:10.1002/smll.202207484
File:https://doi.org/10.1002%2Fsmll.202207484
672.
Kirchhoff, Björn; Jónsson, Elvar Ö.; Jacob, Timo; Jónsson, Hannes
On the Challenge of Obtaining an Accurate Solvation Energy Estimate in Simulations of Electrocatalysis
Topics in Catalysis
May 2023
Publisher: Springer Science and Business Media LLC
DOI:10.1007/s11244-023-01829-0
File:https://doi.org/10.1007%2Fs11244-023-01829-0
671.
Elnagar, Mohamed M.; Kibler, Ludwig A.; Jacob, Timo
Metal deposition and electrocatalysis for elucidating structural changes of gold electrodes during cathodic corrosion
Green Chemistry
2023
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/d3gc01614e
File:https://doi.org/10.1039%2Fd3gc01614e
670.
Kirchhoff, Björn; Jung, Christoph; Gaissmaier, Daniel; Braunwarth, Laura; Fantauzzi, Donato; Jacob, Timo
In silico characterization of nanoparticles
Physical Chemistry Chemical Physics
2023
Publisher: Royal Society of Chemistry (RSC)
DOI:10.1039/d3cp01073b
File:https://doi.org/10.1039%2Fd3cp01073b
669.
Im, Changbin; Kirchhoff, Björn; Krivtsov, Igor; Mitoraj, Dariusz; Beranek, Radim; Jacob, Timo
Structure and Optical Properties of Polymeric Carbon Nitrides from Atomistic Simulations
Chemistry of Materials, 35 (4) :1547—1559
February 2023
Publisher: American Chemical Society (ACS)
DOI:10.1021/acs.chemmater.2c02843
File:https://doi.org/10.1021%2Facs.chemmater.2c02843
668.
Forschner, Lukas; Artmann, Evelyn; Jacob, Timo; Engstfeld, Albert K.
Electric Potential Distribution Inside the Electrolyte during High Voltage Electrolysis
The Journal of Physical Chemistry C, 127 (9) :4387—4394
February 2023
Publisher: American Chemical Society (ACS)
DOI:10.1021/acs.jpcc.2c07873
File:https://doi.org/10.1021%2Facs.jpcc.2c07873
667.
Fiesinger, Florian; Gaissmaier, Daniel; Borg, Matthias; Beßner, Julian; Duin, Adri C. T.; Jacob, Timo
Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries\ast\ast
ChemSusChem, 16 (3)
January 2023
Publisher: Wiley
DOI:10.1002/cssc.202201821
File:https://doi.org/10.1002%2Fcssc.202201821
666.
Rutz, Daniel; Bauer, Ingolf; Brauchle, Felix; Jacob, Timo
Designing a reference electrode \textendash An approach to fabricate laser perforated reference electrodes for lithium-ion batteries
Electrochimica Acta, 441 :141768
February 2023
Publisher: Elsevier BV
DOI:10.1016/j.electacta.2022.141768
File:https://doi.org/10.1016%2Fj.electacta.2022.141768
665.
Uhl, M.; Geng, T.; Schuster, Philipp A.; Schick, B.; Kruck, Matthias; Fuoss, Alexander; Kühne, A. J. C.; Jacob, T.
Combining Deep Eutectic Solvents with TEMPO-based Polymer Electrodes: Influence of Molar Ratio on Electrode Performance
Angewandte Chemie Internation Edition, 62/2 GDCh
2023
Publisher: Wiley
DOI:10.1002/anie.202214927
664.
Elnagar, Mohamed M.; Hermann, Johannes M.; Kibler, Ludwig A.; Jacob, Timo
Cathodic corrosion to fabricate Au electrodes with unique properties for single-crystal electrochemistry, electrocatalysis, and SER spectroscopy
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
Publisher: Elsevier
2023
DOI:10.1016/b978-0-323-85669-0.00062-3
File:https://doi.org/10.1016%2Fb978-0-323-85669-0.00062-3

2022

663.
Jacob, T.; Kibler, L.A.; Sheasha, Y.
Electrolyte for Chromium Deposition from CR(III)-Compounds
April 2022
662.
Liu, X.; Jacob, T.; Gao, W.
Progress of fundamental mechanism of formic acid decomposition and electrooxidation
Journal of Energy Chemistry, 70 :292–309
February 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
661.
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
February 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
660.
Bertolini, S.; Jacob, T.
Valence energy correction for electron reactive force field
Journal of Computational Chemistry, 43(12) :870 - 877
March 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
659.
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
658.
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
657.
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
656.
Uhl, Matthias; Geng, Tanja; Schuster, Philipp A.; Schick, Benjamin W.; Kruck, Matthias; Fuoss, Alexander; Kuehne, Alexander J. C.; Jacob, Timo
Kombination von Deep Eutectic Solvents mit TEMPO-basierten Polymerelektroden: Einfluss des Molaren Verhältnisses auf das Elektrodenverhalten\ast\ast
Angewandte Chemie, 135 (2)
December 2022
Publisher: Wiley
DOI:10.1002/ange.202214927
File:https://doi.org/10.1002%2Fange.202214927
655.
Hassan, H. K.; Farkas, A.; Varzi, A.; Jacob, T.
Mixed Metal‐Organic Frameworks as Efficient Semi‐Solid Electrolytes for Magnesium‐Ion Batteries
Batteries and Supercaps, 10 Chemistry europe
2022
Publisher: Wiley
DOI:https://doi.org/10.1002/batt.202200260
654.
Artmann, Evelyn; Forschner, Lukas; Schüttler, Konstantin M.; Al-Shakran, Mohammad; Jacob, Timo; Engstfeld, Albert K.
Nanoporous Au Formation on Au Substrates via High Voltage Electrolysis\ast\ast
ChemPhysChem, 24 (5)
December 2022
Publisher: Wiley
DOI:10.1002/cphc.202200645
File:https://doi.org/10.1002%2Fcphc.202200645
653.
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
652.
Braunwarth, Laura; Jung, Christoph; Jacob, Timo
Potential-Dependent Pt(111)/Water Interface: Tackling the Challenge of a Consistent Treatment of Electrochemical Interfaces\ast\ast
ChemPhysChem, 24 (1)
October 2022
Publisher: Wiley
DOI:10.1002/cphc.202200336
File:https://doi.org/10.1002%2Fcphc.202200336
651.
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