Publikationen - Artikel

2023

616.

H. Yang, P. V. Menezes, G. Dai, G. Vijaykumar, Z. Chen, M. Al-Shakran, T. Jacob, M. Driess and P. W. Menezes, "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, vol. 324, pp. 122249, Mai 2023. Elsevier BV.

DOI:	10.1016/j.apcatb.2022.122249
Datei:	https://doi.org/10.1016%2Fj.apcatb.2022.122249

615.

B. Kirchhoff, C. Jung, D. Gaissmaier, L. Braunwarth, D. Fantauzzi and T. Jacob, "In silico characterization of nanoparticles", Physical Chemistry Chemical Physics, 2023. Royal Society of Chemistry (RSC).

DOI:	10.1039/d3cp01073b
Datei:	https://doi.org/10.1039%2Fd3cp01073b

614.

J. Bord, B. Kirchhoff, M. Baldofski, C. Jung and T. Jacob, "An Atomistic View of Platinum Cluster Growth on Pristine and Defective Graphene Supports", Small, pp. 2207484, Jan. 2023. Wiley.

DOI:	10.1002/smll.202207484
Datei:	https://doi.org/10.1002%2Fsmll.202207484

613.

B. Kirchhoff, E. Ö. Jónsson, T. Jacob and H. Jónsson, "On the Challenge of Obtaining an Accurate Solvation Energy Estimate in Simulations of Electrocatalysis", Topics in Catalysis, Mai 2023. Springer Science and Business Media LLC.

DOI:	10.1007/s11244-023-01829-0
Datei:	https://doi.org/10.1007%2Fs11244-023-01829-0

612.

M. M. Elnagar, L. A. Kibler and T. Jacob, "Metal deposition and electrocatalysis for elucidating structural changes of gold electrodes during cathodic corrosion", Green Chemistry, 2023. Royal Society of Chemistry (RSC).

DOI:	10.1039/d3gc01614e
Datei:	https://doi.org/10.1039%2Fd3gc01614e

611.

C. Im, B. Kirchhoff, I. Krivtsov, D. Mitoraj, R. Beranek and T. Jacob, "Structure and Optical Properties of Polymeric Carbon Nitrides from Atomistic Simulations", Chemistry of Materials, vol. 35, no. 4, pp. 1547—1559, Feb. 2023. American Chemical Society (ACS).

DOI:	10.1021/acs.chemmater.2c02843
Datei:	https://doi.org/10.1021%2Facs.chemmater.2c02843

610.

P. A. Schuster, M. Uhl, A. Kissmann, F. Jansen, T. Geng, M. Ceblin, F. Rosenau, T. Jacob and A. Kuehne, "Fully-conjugated polyimidazole nanoparticles as active material in bi-odegradable electrodes for organic batteries", Jan. 2023. American Chemical Society (ACS).

DOI:	10.26434/chemrxiv-2023-lnwj8
Datei:	https://doi.org/10.26434%2Fchemrxiv-2023-lnwj8

609.

L. Forschner, E. Artmann, T. Jacob and A. K. Engstfeld, "Electric Potential Distribution Inside the Electrolyte during High Voltage Electrolysis", The Journal of Physical Chemistry C, vol. 127, no. 9, pp. 4387—4394, Feb. 2023. American Chemical Society (ACS).

DOI:	10.1021/acs.jpcc.2c07873
Datei:	https://doi.org/10.1021%2Facs.jpcc.2c07873

608.

F. Fiesinger, D. Gaissmaier, M. Borg, J. Beßner, A. C. T. Duin and T. Jacob, "Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries\ast\ast", ChemSusChem, vol. 16, no. 3, Jan. 2023. Wiley.

DOI:	10.1002/cssc.202201821
Datei:	https://doi.org/10.1002%2Fcssc.202201821

607.

D. Rutz, I. Bauer, F. Brauchle and T. Jacob, "Designing a reference electrode \textendash An approach to fabricate laser perforated reference electrodes for lithium-ion batteries", Electrochimica Acta, vol. 441, pp. 141768, Feb. 2023. Elsevier BV.

DOI:	10.1016/j.electacta.2022.141768
Datei:	https://doi.org/10.1016%2Fj.electacta.2022.141768

606.

M. Uhl, T. Geng, P. A. Schuster, B. Schick, M. Kruck, A. Fuoss, A. J. C. Kühne and T. Jacob, "Combining Deep Eutectic Solvents with TEMPO-based Polymer Electrodes: Influence of Molar Ratio on Electrode Performance", Angewandte Chemie Internation Edition, vol. 62/2, 2023. Wiley.

DOI:	10.1002/anie.202214927

2022

605.

X. Liu, T. Jacob and W. Gao, "Progress of fundamental mechanism of formic acid decomposition and electrooxidation", Journal of Energy Chemistry, vol. 70, pp. 292–309, Feb. 2022. Elsevier B.V. and Science Press.

DOI:	10.1016/j.jechem.2022.02.017
Datei:	https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0239_HCOOH_Review_JEnergChem.pdf

604.

P. Henkel, S. Zahn, J. Lorenz, T. Jacob, J. Janek and D. Mollenhauer, "Temperature-dependent Li vacancy diffusion in Li4Ti5O12 by means of first principles molecular dynamic simulations", Phys. Chem. Chem. Phys., vol. 24, pp. 5301–5316, Feb. 2022. Royal Society of Chemistry.

DOI:	10.1039/d1cp05126a
Datei:	https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0238_Li_diffusion_LTO_PhysChemChemPhys.pdf

603.

S. Bertolini and T. Jacob, "Valence energy correction for electron reactive force field", Journal of Computational Chemistry, vol. 43(12), pp. 870 - 877, Mä. 2022. Wiley Periodicals LLC.

DOI:	10.1002/jcc.26844
Datei:	https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0240_eReaxFF_JCompChem.pdf

602.

T. Geng, B. Schick, M. Uhl, A. J. C. Kühne, L. A. Kibler, M. U. Ceblin and T. Jacob, "Influence of Chloride and Nitrate Anions on Copper Electrodeposition onto Au(111) from Deep Eutectic Solvents", ChemElectroChem, 2022. Wiley.

DOI:	https://doi.org/10.1002/celc.202101263

601.

M. -. Heubach, F. M. Schütt, L. A. Kibler, A. Abdelrahman and T. Jacob, "Initial Stages of Sodium Deposition onto Au(111) from [MPPip][TFSI]: An In‐Situ STM Study for Sodium‐Ion Battery Electrolytes", ChemElectroChem, vol. 20, 2022. Wiley.

DOI:	https://doi.org/10.1002/celc.202200935

600.

H. K. Hassan, A. Farkas, A. Varzi and T. Jacob, "Mixed Metal‐Organic Frameworks as Efficient Semi‐Solid Electrolytes for Magnesium‐Ion Batteries", Batteries and Supercaps, vol. 10, 2022. Wiley.

DOI:	https://doi.org/10.1002/batt.202200260

599.

E. Artmann, L. Forschner, K. M. Schüttler, M. Al-Shakran, T. Jacob and A. K. Engstfeld, "Nanoporous Au Formation on Au Substrates via High Voltage Electrolysis\ast\ast", ChemPhysChem, vol. 24, no. 5, Dez. 2022. Wiley.

DOI:	10.1002/cphc.202200645
Datei:	https://doi.org/10.1002%2Fcphc.202200645

598.

C. K. Jung, D. Kmiec, L. Koepke, F. Zech, T. Jacob, K. M. J. Sparrer and F. Kirchhoff, "Omicron: what makes the latest SARS-CoV-2 variant so concerning?", Journal of Virology, vol. 96, 2022. ASM Journals.

DOI:	10.1128/jvi.02077-21

597.

L. Braunwarth, C. Jung and T. Jacob, "Potential-Dependent Pt(111)/Water Interface: Tackling the Challenge of a Consistent Treatment of Electrochemical Interfaces\ast\ast", ChemPhysChem, vol. 24, no. 1, Okt. 2022. Wiley.

DOI:	10.1002/cphc.202200336
Datei:	https://doi.org/10.1002%2Fcphc.202200336

596.

M. Eckl, Y. Mattausch, C. K. Jung, S. Kirsch, L. Schmidt, G. Huebner, J. E. Mueller, L. A. Kibler and T. Jacob, "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, vol. 2, 2022. Wiley.

DOI:	10.1002/elsa.202100049

595.

B. Kirchhoff, C. K. Jung, H. Jónsson, D. Fantauzzi and T. Jacob, "Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes", The Journal of Physical Chemistry, vol. 126, pp. 6773–6781, 2022. ACS Publications.

DOI:	10.1021/acs.jpcc.2c00472

594.

M. M. Elnagar, L. A. Kibler and T. Jacob, "Structural Evolution of Au Electrodes during Cathodic Corrosion: Initial Stages of Octahedral-Nanocrystal Growth", Journal of The Electrochemical Society, vol. 169/10, 2022. ECS.

DOI:	10.1149/1945-7111/ac9930

593.

P. Schüler, S. Sengupta, S. Zaubitzer, F. Fiesinger, S. Dongmo, H. Görls, M. Wohlfahrt-Mehrens, M. Van den Borg, D. Gaissmaier, S. Krieck, M. Marinaro, T. Jacob and M. Westerhausen, "Suitability of Carbazolyl Hauser and Turbo-Hauser Bases as Magnesium-Based Electrolytes", European Journal of Inorganic Chemistry, vol. 2022, 2022. Wiley VCH.

DOI:	10.1002/ejic.202200149

592.

S. Bertolini and T. Jacob, "Sulfurized-polyacrylonitrile in lithium-sulfur batteries: Interactions between undercoordinated carbons and polymer structure under low lithiation", Journal of Energy Chemistry, vol. 66 (2022), pp. 587–596, Mä. 2022. Elsevier B.V..

DOI:	10.1016/j.jechem.2021.08.070