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: |
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: |
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: |
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 |