Publications - Articles
2022
541.
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,
2022.
Elsevier B.V. and Science Press.
| DOI: | 10.1016/j.jechem.2022.02.017 |
| File: |  https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0239_HCOOH_Review_JEnergChem.pdf |
540.
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,
2022.
Royal Society of Chemistry.
| DOI: | 10.1039/d1cp05126a |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0238_Li_diffusion_LTO_PhysChemChemPhys.pdf |
539.
S. Bertolini and
T. Jacob,
"Valence energy correction for electron reactive force field",
Journal of Computational Chemistry,
vol. 43(12),
pp. 870 - 877,
2022.
Wiley Periodicals LLC.
| DOI: | 10.1002/jcc.26844 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0240_eReaxFF_JCompChem.pdf |
538.
S. Bertolini and
T. Jacob,
"Atomistic discharge studies of sulfurized-polyacrylonitrile through ab initio molecular dynamics",
Electrochimica Acta 403 (2022),
vol. 139538,
pp. 1 - 7,
2022.
Elsevier Ltd..
| DOI: | 10.1016/j.electacta.2021.139538 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0237_Li-SPAN_IV_ElectrochimActa.pdf |
537.
P. V. Menezes,
M. M. Elnagar,
M. Al-Shakran,
M. Eckl,
P. W. Menezes,
L. Kibler and
T. Jacob,
"In-Liquid Plasma for Surface Engineering of Cu Electrodes with Incorporated SiO! Nanoparticles: From Micro to Nano",
Advanced Functional Materials,
vol. 32(6), 2107058,
pp. 1 - 12,
2022.
Wiley-VCH GmbH.
| DOI: | 10.1002/adfm.202107058 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0235_In-Liquid_Plasma_CuO2_SiO2_AdvFunctMater.pdf |
536.
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,
2022.
Elsevier B.V..
| DOI: | 10.1016/j.jechem.2021.08.070 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0234_Li-SPAN_II_JEnergChem.pdf |
535.
M. Van den Borg,
D. Gaissmaier,
D. Fantauzzi,
E. Knobbe and
T. Jacob,
"Atomistic Studies on Water-Induced Lithium Corrosion",
ChemSusChem,
vol. 15, e202101765,
pp. 1 - 10,
2022.
Wiley-VCH GmbH.
| DOI: | 10.1002/cssc.202101765 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0236_Li_H2O_Corrosion_ChemSusChem.pdf |
2021
534.
S. Bertolini and
T. Jacob,
"Density Functional Theory Studies on Sulfur−Polyacrylonitrile as a Cathode Host Material for Lithium−Sulfur Batteries",
ACS OMEGA,
vol. 6,
pp. 9700 - 9708,
2021.
American Chemical Society,
http://pubs.acs.org/journal/acsodf.
| DOI: | 10.1021/acsomega.0c06240 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0215_Li-SPAN_I_ACS-Omega.pdf |
533.
T. Englert,
J. Stiedl,
S. Green,
T. Jacob,
T. Chassé and
K. Rebner,
"Quantifying flux residues after soldering on technical copper using ultraviolet visible (UV–Vis) spectroscopy and multivariate analysis",
Microelectronics Reliability,
vol. 125 (2021) 114367,
pp. 1 - 9,
2021.
Elsevier Ltd..
| DOI: | 10.1016/j.microrel.2021.114367 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0218_UV-Vis_Cu_Residues_MicroelectronReliab.pdf |
532.
B. Kirchhoff,
Jónsson,
A. O. Dohn,
T. Jacob and
H. Jónsson,
"Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations",
Journal of Chemical Theory and Computation,
vol. 17 (9),
pp. 5863 − 5875,
2021.
American Chemical Society.
| DOI: | 10.1021/acs.jctc.1c00522 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0226_SAFIRES_JChemTheoryComput.pdf |
531.
[English]
M. M. Elnagar,
J. M. Hermann,
T. Jacob and
L. Kibler,
"An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy",
Electrochmimica Acta,
vol. 372,
pp. 2 - 12,
2021.
Elsevier.
| DOI: | doi.org/10.1016/j.electacta.2021.137867 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0211_Au_cathodic_corrosion_ElectrochimActa.pdf |
530.
M. Van den Borg,
D. Gaissmaier,
D. Fantauzzi,
E. Knobbe and
T. Jacob,
"Theoretical studies on the initial oxidation of metallic lithium anodes",
Applied Surface Science,
vol. 555 (2021) 149447,
pp. 1 - 12,
2021.
Elsevier B.V..
| DOI: | 10.1016/j.apsusc.2021.149447 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0217_Li-O_ApplSurfSci.pdf |
529.
F. Zech,
D. Schniertshauer,
C. K. Jung,
A. Herrmann,
A. Cordsmeier,
Q. Xie,
R. Nchioua,
C. Prelli Bozzo,
M. Volcic,
L. Koepke,
J. A. Müller,
J. Krüger,
S. Heller,
S. Stenger,
M. Hoffmann,
S. Pöhlmann,
A. Kleger,
T. Jacob,
K. Conzelmann,
A. Ensser,
K. M. J. Sparrer and
F. Kirchhoff,
"Spike residue 403 affects binding of coronavirus spikes to human ACE2",
Nature Communications,
vol. 12(1) 6855 (2021),
pp. 1 - 10,
2021.
Springer Nature.
| DOI: | 10.1038/s41467-021-27180-0 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0227_RaTG13_Spike_Peptid_NatComm.pdf |
528.
J. M. Hermann,
A. Abdelrahman,
T. Jacob and
L. Kibler,
"The Effect of pH and Anion Adsorption on Formic Acid Oxidation on Au(111) Electrodes",
Electrochimica Acta,
vol. 385 (2021) 138279,
pp. 1 - 10,
2021.
Elsevier Ltd..
| DOI: | 10.1016/j.electacta.2021.138279 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0213_HCOOH_pH_Anion_Au111_ElectrochimActa.pdf |
527.
S. Sikdar,
P. V. Menezes,
R. Maccione,
T. Jacob and
P. L. Menezes,
"Plasma Electrolytic Oxidation (PEO) Process—Processing, Properties, and Applications",
Nanomaterials,
vol. 11, 1375,
pp. 1 - 40,
2021.
MDPI.
| DOI: | 10.3390/ nano11061375 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0222_PEO_Plama_Review_Nanomaterials.pdf |
526.
D. Mitoraj,
I. Krivtsov,
C. Li,
A. Rajagopal,
C. Im,
C. Adler,
K. Köble,
O. Khainakova,
J. Hniopek,
C. Neumann,
A. Turchanin,
I. da Silva,
M. Schmitt,
R. Leiter,
T. Lehnert,
J. Popp,
U. Kaiser,
T. Jacob,
C. Streb,
B. Dietzek and
R. Beranek,
"A Study in Red: The Overlooked Role of Azo-Moieties in Polymeric Carbon Nitride Photocatalysts with Strongly Extended Optical Absorption",
Chemistry—A European Journal,
vol. 27,
pp. 17188 – 17202,
2021.
Wiley-VCH GmbH.
| DOI: | 10.1002/chem.202102945 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0232_Red_Carbon_Nitride_ChemEurJ.pdf |
525.
T. Englert,
F. Gruber,
J. Stiedl,
S. Green,
T. Jacob,
K. Rebner and
W. Grählert,
"Use of Hyperspectral Imaging for the Quantification of Organic Contaminants on Copper Surfaces for Electronic Applications",
Sensors,
vol. 21, 5595,
pp. 1 - 14,
2021.
MDPI.
| DOI: | doi.org/10.3390/s21165595 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0230_Hyperspectral_Imaging_Sensors.pdf |
524.
J. E. Mueller,
H. Hoffmannova,
T. Hiratoko,
P. Krtil and
T. Jacob,
"Structural evolution of a PtRu catalyst in the oxidation of an organic molecule",
Journal of Catalysis,
vol. 398 (2021) 89-101,
pp. 89 - 101,
2021.
Elsevier Inc..
| DOI: | 10.1016/j.jcat.2021.04.001 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0220_PtRu_Bifunctionality_JCatal.pdf |
523.
M. S. Tacca,
T. Jacob and
E. C. Goldberg,
"Influence of surface states on the conductance spectra for Co adsorbed on Cu(111)",
PHYSICAL REVIEW B,
vol. 103,
pp. 245419-1 - 245419-16,
2021.
American Physical Society.
| DOI: | 10.1103/PhysRevB.103.245419 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0224_Co_Cu_conductance_PhysRevB.pdf |
522.
D. Gao,
R. Liu,
S. Liu,
S. Greiner,
M. Anjass,
J. Biskupek,
U. Kaiser,
H. Braun,
T. Jacob and
C. Streb,
"Electrocatalytic Oxygen Evolution by Hierarchically Structured Cobalt−Iron Composites",
ACS Applied Materials & Interfaces,
vol. 13,
pp. 19048 - 19054,
2021.
American Chemical Society.
| DOI: | 10.1021/acsami.1c03618 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0221_OER_CoFe-Composites_ACSApplMatInt.pdf |
521.
F. M. Schuett,
S. Zeller,
M. Eckl,
F. M. Matzik,
M. Heubach,
T. Geng,
J. M. Hermann,
M. Uhl,
L. Kibler,
A. K. Engstfeld and
T. Jacob,
"Versatile 3D-Printed Micro-Reference Electrodes for Aqueous and Non-Aqueous Solutions",
Angewandte Chemie International Edition,
vol. 60,
pp. 22783 - 22790,
2021.
Wiley-VCH GmbH.
| DOI: | 10.1002/anie.202105871 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0229_Micro_ReferenceELectrode_AngewChemIntEd_e.pdf |
520.
S. Maloul,
M. Van den Borg,
C. Müller,
L. Zedler,
A. Mengele,
D. Gaissmaier,
T. Jacob,
S. Rau,
B. Dietzek and
C. Streb,
"Multifunctional Polyoxometalate Platforms for Supramolecular Light-Driven Hydrogen Evolution",
Chemistry—A European Journal,
vol. 27,
pp. 16846 - 16852,
2021.
Wiley-VCH GmbH.
| DOI: | 10.1002/chem.202103817 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0231_POM_Ligand_HER_ChemEurJ.pdf |
519.
H. K. Hassan,
A. Galal,
N. F. Atta and
T. Jacob,
"Iron-based perovskites-reduced graphene oxide as possible cathode materials for rechargeable iron-ion battery",
Journal of Alloys and Compounds,
vol. 870 (2021) 159383,
pp. 1 - 10,
2021.
| DOI: | 10.1016/j.jallcom.2021.159383 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0219_Fe-Perovskites_GrapheneOxide_JAlloysCompd.pdf |
518.
C. K. Jung,
L. Braunwarth,
A. Sinyavskiy and
T. Jacob,
"Thermodynamic Description of Interfaces Applying the 2PT Method on ReaxFF Molecular Dynamics Simulations",
The Journal of Physical Chemistry,
vol. 125,
pp. 24663 − 24670,
2021.
American Chemical Society.
| DOI: | 10.1021/acs.jpcc.1c07327 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0223_2PT_Thermodynamics_JPhysChemC.pdf |
517.
M. Al Ktash,
M. Stefanakis,
T. Englert,
M. L. Drechsel,
J. Stiedl,
S. Green,
T. Jacob,
B. Boldrini,
E. Ostertag,
K. Rebner and
M. Brecht,
"UV Hyperspectral Imaging as Process Analytical Tool for the Characterization of Oxide Layers and Copper States on Direct Bonded Copper",
Sensors,
vol. 21, 7332,
pp. 1 - 14,
2021.
MDPI.
| DOI: | 10.3390/s21217332 |
| File: | https://www.uni-ulm.de/fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0233_UV_Hyperspectral_Imaging_Sensors.pdf |