Publications - Articles
2021
561.
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,
Nov.
2021.
American Chemical Society.
DOI: | 10.1021/acs.jpcc.1c07327 |
File: |
560.
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,
Nov.
2021.
MDPI.
DOI: | 10.3390/s21217332 |
File: |
559.
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,
Oct.
2021.
Wiley-VCH GmbH.
DOI: | 10.1002/chem.202102945 |
File: |
558.
S. Bertolini and
T. Jacob,
"Capturing polysulfides by sulfurized-polyacrylonitrile in lithium-sulfur batteries and the sulfur-chain effects through Density Functional Theory",
Electrochemical Science Advances,
Oct.
2021.
Wiley.
DOI: | 10.1002/elsa.202100129 |
557.
F. M. Schuett,
S. Zeller,
M. Eckl,
F. M. Matzik,
M. -. Heubach,
T. Geng,
J. M. Hermann,
M. Uhl,
L. A. 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,
Sep.
2021.
Wiley-VCH GmbH.
DOI: | 10.1002/anie.202105871 |
File: |
556.
B. Kirchhoff,
A. Ivanov,
E. Skúlason,
T. Jacob,
D. Fantauzzi and
H. Jónsson,
"Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene",
Journal of Chemical Theory and Computation,
vol. 17,
pp. 6405 - 6415,
Sep.
2021.
American Chemical Society,
https://pubs.acs.org/action/showCitFormats?doi=10.1021/acs.jctc.1c00377&ref=pdf.
DOI: | 10.1021/acs.jctc.1c00377 |
File: |
555.
B. Kirchhoff,
E. Ö. 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,
Aug.
2021.
American Chemical Society.
DOI: | 10.1021/acs.jctc.1c00522 |
File: |
554.
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,
Aug.
2021.
Elsevier Ltd..
DOI: | 10.1016/j.microrel.2021.114367 |
File: |
553.
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,
Aug.
2021.
MDPI.
DOI: | doi.org/10.3390/s21165595 |
File: |
552.
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,
Jun.
2021.
American Physical Society.
DOI: | 10.1103/PhysRevB.103.245419 |
File: |
551.
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,
May
2021.
MDPI.
DOI: | 10.3390/ nano11061375 |
File: |
550.
J. M. Hermann,
H. Müller,
L. Daccache,
C. Adler,
S. Keller,
M. Metzler,
T. Jacob and
L. A. Kibler,
"Formic acid oxidation reaction on Au(111) electrodes modified with 4-mercaptopyridine SAM",
Electrochimica Acta,
vol. 388 (2021) 138547,
pp. 1 - 14,
May
2021.
Elsevier Ltd..
DOI: | 10.1016/j.electacta.2021.138547 |
File: |
549.
J. M. Hermann,
A. Abdelrahman,
T. Jacob and
L. A. 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,
Apr.
2021.
Elsevier Ltd..
DOI: | 10.1016/j.electacta.2021.138279 |
File: |
548.
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,
Apr.
2021.
Elsevier Inc..
DOI: | 10.1016/j.jcat.2021.04.001 |
File: |
547.
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,
Apr.
2021.
American Chemical Society.
DOI: | 10.1021/acsami.1c03618 |
File: |
546.
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,
Mar.
2021.
American Chemical Society,
http://pubs.acs.org/journal/acsodf.
DOI: | 10.1021/acsomega.0c06240 |
File: |
545.
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,
Mar.
2021.
Elsevier B.V..
DOI: | 10.1016/j.apsusc.2021.149447 |
File: |
544.
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,
Mar.
2021.
DOI: | 10.1016/j.jallcom.2021.159383 |
File: |
543.
[English]
M. M. Elnagar,
J. M. Hermann,
T. Jacob and
L. A. 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,
Jan.
2021.
Elsevier.
DOI: | doi.org/10.1016/j.electacta.2021.137867 |
File: |
542.
F. M. Schuett,
M. -. Heubach,
J. Mayer,
M. U. Ceblin,
L. A. Kibler and
T. Jacob,
"Electrodeposition of Zinc onto Au(111) and Au(100) from the Ionic Liquid [MPPip][TFSI]",
Angewandte Chemie International Edition,
vol. 60,
pp. 20461 - 20468,
2021.
Wiley-VCH GmbH.
DOI: | 10.1002/anie.202107195 |
File: |
541.
F. M. Schuett,
M. -. Heubach,
J. Mayer,
M. U. Ceblin,
L. A. Kibler and
T. Jacob,
"Electrodeposition of Zinc onto Au(111) and Au(100) from the Ionic Liquid [MPPip][TFSI]",
Angewandte Chemie,
vol. 133,
pp. 20624 - 20631,
2021.
Wiley-VCH GmbH.
DOI: | 10.1002/ange.202107195 |
File: |
540.
M. Piescheck,
A. Abdelrahman,
J. M. Hermann,
H. Müller,
T. Jacob and
L. A. Kibler,
"Hydrogen Peroxide Oxidation Reaction on a 4‐Mercaptopyridine Self‐Assembled Monolayer on Au(111) Metallized by Platinum Nanoislands",
Electrocatalysis,
vol. 12,
pp. 264 - 271,
2021.
Springer.
DOI: | 10.1007/s12678-021-00647-w |
File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0210_H2O2_SAM_AU111_Electrocatal.pdf |
539.
M. Hayn,
A. Blötz,
A. Rodríguez,
S. Vidal,
N. Preising,
L. Ständker,
S. Wiese,
C. M. Stürzel,
M. Harms,
R. Gross,
C. K. Jung,
M. Kiene,
T. Jacob,
S. Pöhlmann,
W. -. Forssmann,
J. Münch,
K. M. J. Sparrer,
K. Seuwen,
B. H. Hahn and
F. Kirchhoff,
"Natural cystatin C fragments inhibit GPR15-mediated HIV and SIV infection without interfering with GPR15L signaling",
Immunology and Inflammation,
vol. 118,
pp. 1 - 11,
2021.
PNAS.
DOI: | 10.1073/pnas.2023776118 |
File: | /fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0209_GPR15_CyxC52_PNAS.pdf |
538.
[English]
M. M. Elnagar,
J. M. Hermann,
T. Jacob and
L. A. Kibler,
"Tailoring the electrode surface structure by cathodic corrosion in alkali metal hydroxide solution: Nanostructuring and faceting of Au",
Current Opinion in Electrochemistry,
vol. 27:100696,
pp. 1 - 9,
2021.
Elsevier B. V..
DOI: | doi.org/10.1016/j.coelec.2021.100696 |
File: |
537.
F. M. Schuett,
S. Zeller,
F. M. Matzik,
M. Eckl,
M. -. Heubach,
T. Geng,
J. M. Hermann,
M. Uhl,
L. A. Kibler,
A. K. Engstfeld and
T. Jacob,
"Versatile 3D-Printed Micro-Reference Electrodes for Aqueous and Non-Aqueous Solutions",
Angewandte Chemie,
vol. 133,
pp. 22965 - 22972,
2021.
Wiley-VCH GmbH.
DOI: | 10.1002/ange.202105871 |
File: |