Basics of Electrochemistry

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The research group "Basics of Electrochemistry" is concerned with the experimental study of electrolyte–electrode interfaces, using in situ methods whose resolution approaches the atomic level as closely as possible. If it succeeds in this way in establishing a correlation between the electrode structure at the atomic level and the most important electrode processes, it will become possible to identify further ways of optimizing the energy storage system.

Electrode processes and the electrode structure are observed simultaneously during the charging and discharging processes. Electrochemical methods of measurement are employed for this purpose, such as cyclic voltammetry, impedance spectroscopy, and measurements using quartz microbalances, which are used in nonaqueous electrolytes (organic or ionic liquids that are characteristic of energy storage systems). These methods make it possible to discriminate the simpler individual elementary processes that make up the complex electrode processes.

The structure of the electrode’s surface is imaged using in situ scanning tunneling microscopy (STM). Ideally it is possible to establish a relationship between the structural changes observed in the electrode’s surface and the elementary processes measured electrochemically, which provides new indications as to mechanism at play in the processes on the surface. A fundamental understanding of these features can point to new ways to optimize the system.

 

Dr. Josef AntonScientist, IT administrationTel: +49 (0731) 50 34128Mail: josef.anton(at)kit.edu
Research groupBasics of Electrochemistry
Maximilian CeblinPhD StudentTel: +49 (0731) 50 25425Mail: maximilian.ceblin(at)kit.edu
Research groupBasics of Electrochemistry
Daniel GaissmaierPhD StudentTel: +49 (0731) 50 26061Mail: daniel.gaissmaier(at)kit.edu
Research groupBasics of Electrochemistry
Prof. Dr. Timo JacobPrincipal Investigator (PI)Tel: +49 (0731) 50 25401Mail: nawi.ec(at)uni-ulm.de
Research groupBasics of Electrochemistry
Christoph JungPhD StudentTel: +49 (0731) 50 26061Mail: christoph.jung(at)kit.edu
Research groupBasics of Electrochemistry
Sven ZellerPhD StudentTel: +49 (0731) 50 25425Mail: sven.zeller(at)kit.edu
Research groupBasics of Electrochemistry

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Applications of electrochemical methods are today widespread, making an impact in fields as diverse as manufacturing, consumer electronics, energy storage systems and transportation. Understanding fundamental aspects of the electrochemical processes involved is a mandatory step in the development of these applications.

 

The research group

Basics of Electrochemistry

Basics of Electrochemistry addresses basic aspects of Electrochemistry as relevant in the context of chemical energy storage. The techniques applied range from classical methods of electrochemical investigation (e.g. potentiostatic methods, impedance spectroscopy) to structural investigation techniques such as scanning tunnelling microscopy (STM), offering access to atomic-scale details. Methods applied in addition include electron microscopy, optical and electron spectroscopy. A brief overview of representative projects is given in the following.

Electrochemical characterization

Electrochemical characterization of electrodes in novel electrolytes. Cyclic voltammetry (CV) and in-situ electrochemical impedance spectroscopy (EIS) are used for the characterization of electrode materials in contact with complex electrolytes, such as organics and ionic liquids. The use of these novel electrolytes opens new interesting investigation possibilities, which were hitherto inaccessible by electrochemical methods in aqueous electrolytes. For instance, the electrochemical characterization of the electrode/electrolyte interface, but also issues of electrode stability during electrochemical cycling are addressed.

In-situ studies of metal Deposition

In-situ studies of metal Deposition: Metal deposition is a process of wide interest in both industry and electrochemical energy storage. Application of in-situ STM technique allows following the incipient phases of metal deposition under operation conditions by imaging the particle nucleation and subsequent growth through the (organic or ionic liquid) electrolyte. The use of additives to control the structure of the deposited metal film, or to mitigate the undesired plating processes, for example in lithium ion batteries, can be addressed by these techniques.

Studies on the electrode/electrolyte interface

Studies on the electrode/electrolyte interface in lithium-ion batteries. Deposition of metallic lithium at the electrodes drastically affects the safety in exploitation of lithium and lithium-ion batteries. Metallic lithium in its turn can facilitate a decomposition of the organic electrolyte, resulting in a complex layer of organic molecules at the electrode surface. On the other hand, formation of similar solid-electrolyte interphase (SEI) layers during the first charging cycles is essential for the long-term stability of a battery. These processes are studied in-situ by chemically sensitive methods, such as quartz crystal microbalance (QCMB) and optical spectroscopy (e.g. IR, Raman), complemented by structural insights from in-situ STM studies.

Multiscale Modeling

The research group Multiscale Modeling is concerned with the multiscale description of energy-relevant systems. The processes that take place in electrochemical storage media during charging and discharging are on different scales in terms of time and length. It is therefore necessary, given an appropriate theoretical description, for different methods and techniques to be developed and used. By combining these methods, it is possible to describe and predict the properties of electrochemical cells even without using empirical parameters. For example, to simulate the macroscopic transfer of charge or mass it is necessary to know various factors, such as the energy barriers for the individual elementary diffusion steps of the charge carriers. However, precisely such information can be determined at the atomic scale, where the structure and energy of corresponding model systems can be determined using the appropriate ab initio methods.

 

A primary goal of our activities is to establish a coupling between the different scales by first linking the relevant theoretical models with one another and then applying them to energy-relevant systems (e.g., lithium-ion or lithium-air ones). The specific goal is to reach a fundamental understanding of the important processes at the mesoscopic or macroscopic levels, with the determining elementary processes being described on the microscopic scale.

 

Methodologically, multiscale coupling is achieved horizontally via an embedding procedure and vertically on the basis of parameter passing. This involves methods ranging from microscopic modeling using quantum chemical techniques to molecular dynamics and statistical mechanics to the macroscopic description of electrochemical systems on the basis of coupled differential equations. The focus is on the coupling between the scales involved.

  • Potenstiostate-Galvanostate
  • Elektrochemische Impedanzspektroskopie
  • Verschiedene elektrochemische Zellen
  • Elektrochemische Quarz-Mikrowaagenmikroskopie (EQCM)
  • Rotierende Scheibenelektroden (RDE)
  • Rasterelektronenmikroskopie (REM)
  • In-situ Rastertunnelmikroskopie (STM)
  • In-situ Rasterkraftmikroskopie (STM)
  • Auger-Spektroskopie
  • In-situ Infrarotspektroskopie (ATR-FTIR)
  • In-situ Ramanspektroskopie
  • AMD Compute-Cluster

The research group Multiscale Modeling at HIU is well connected with research partners from academia and industry, including various national and international electrochemistry institutes. Internally, the group works closely with the research groups Elementary Processes, Electrochemical Multiphysics Modeling and Solid-State Chemistry.

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Zech Fabian, Jung Christoph, Jacob Timo, Kirchhoff Frank
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Schick Benjamin W., Hou Xu, Vanoppen Viktor, Uhl Matthias, Kruck Matthias, Berg Erik J., Jacob Timo
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Uhl Matthias, Sadeeda, Penert Philipp, Schuster Philipp A., Schick Benjamin W., Muench Simon, Farkas Attila, Schubert Ulrich S., Esser Birgit, Kuehne Alexander J. C., Jacob Timo
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Hassan Hagar K., Hoffmann Paul, Jacob Timo
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Schuster Philipp A., Uhl Matthias, Kissmann Ann-Kathrin, Jansen Felicitas, Geng Tanja, Ceblin Maximilian U., Spiewok Sarah, Rosenau Frank, Jacob Timo, Kuehne Alexander J. C.
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Bogenrieder Stefanie E., Beßner Julian, Engstfeld Albert K., Jacob Timo
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Elnagar Mohamed M., Liessem Johannes, Im Changbin, Mitoraj Dariusz, Kibler Ludwig A., Neumann Christof, Turchanin Andrey, Leiter Robert, Kaiser Ute, Jacob Timo, Krivtsov Igor, Beranek Radim
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Mondal Indranil, Menezes Pramod V., Laun Konstantin, Diemant Thomas, Al-Shakran Mohammad, Zebger Ingo, Jacob Timo, Driess Matthias, Menezes Prashanth W.
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Kirchhoff Björn, Jung Christoph, Gaissmaier Daniel, Braunwarth Laura, Fantauzzi Donato, Jacob Timo
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Yang Hongyuan, Menezes Pramod V., Dai Guoliang, Vijaykumar Gonela, Chen Ziliang, Al-Shakran Mohammad, Jacob Timo, Driess Matthias, Menezes Prashanth W.
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Bord Julia, Kirchhoff Björn, Baldofski Matthias, Jung Christoph, Jacob Timo
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Im Changbin, Kirchhoff Björn, Krivtsov Igor, Mitoraj Dariusz, Beranek Radim, Jacob Timo
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Fiesinger Florian, Gaissmaier Daniel, van den Borg Matthias, Beßner Julian, van Duin Adri C. T., Jacob Timo
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Uhl Matthias, Geng Tanja, Schuster Philipp A., Schick Benjamin W., Kruck Matthias, Fuoss Alexander, Kuehne Alexander J. C., Jacob Timo
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Braunwarth Laura, Jung Christoph, Jacob Timo
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Forschungsbericht
Kirchhoff Björn, Jónsson Elvar Ö., Jacob Timo, Jónsson Hannes
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Kirchhoff Björn, Jónsson Elvar Ö., Jacob Timo, Jónsson Hannes
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Elkhafif Omar W., Hassan Hagar K., Ceblin Maximilian U., Farkas Attila, Jacob Timo
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Elnagar Mohamed M., Menezes Pramod V., Parada Walter A., Mattausch Yannick, Kibler Ludwig A., Mayrhofer Karl J. J., Jacob Timo
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Wang Qingxing, Noettger Sabrina, Xie Qinya, Pastorio Chiara, Seidel Alina, Müller Janis A., Jung Christoph, Jacob Timo, Sparrer Konstantin M. J., Zech Fabian, Kirchhoff Frank
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Jung Christoph Karsten, Münch Jan, Jacob Timo
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Kang Sinwoo, Im Changbin, Spanos Ioannis, Ham Kahyun, Lim Ahyoun, Jacob Timo, Schlögl Robert, Lee Jaeyoung
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Esau Derek, Schuett Fabian M., Varvaris K. Liam, Kibler Ludwig A., Jacob Timo, Jerkiewicz Gregory
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Zaubitzer Steve, Dongmo Saustin, Schüler Philipp, Krieck Sven, Fiesinger Florian, Gaissmaier Daniel, van den Borg Matthias, Jacob Timo, Westerhausen Matthias, Wohlfahrt-Mehrens Margret, Marinaro Mario
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Fiesinger Florian, Gaissmaier Daniel, Borg Matthias, Jacob Timo
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Pastorio Chiara, Zech Fabian, Noettger Sabrina, Jung Christoph, Jacob Timo, Sanderson Theo, Sparrer Konstantin M. J., Kirchhoff Frank
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Schüler Philipp, Sengupta Simon, Zaubitzer Steve, Fiesinger Florian, Dongmo Saustin, Görls Helmar, Wohlfahrt-Mehrens Margret, Borg Matthias, Gaissmaier Daniel, Krieck Sven, Marinaro Mario, Jacob Timo, Westerhausen Matthias
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Bertolini Samuel, Jacob Timo
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Kirchhoff Björn, Jung Christoph, Jónsson Hannes, Fantauzzi Donato, Jacob Timo
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Geng Tanja, Zeller Sven J., Kibler Ludwig A., Ceblin Maximilian U., Jacob Timo
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Menezes P. V., Elnagar M. M., Al-Shakran M., Eckl M. J., Menezes P. W., Kibler L. A., Jacob T.
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Borg Matthias van den, Gaissmaier Daniel, Fantauzzi Donato, Knobbe Edwin, Jacob Timo
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Bertolini Samuel, Jacob Timo
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Bertolini Samuel, Jacob Timo
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Zeller Sven J., Geng Tanja, Ceblin Maximilian U., Uhl Matthias, Kuehne Alexander J. C., Kibler Ludwig A., Jacob Timo
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Hassan Hagar K., Farkas Attila, Varzi Alberto, Jacob Timo
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Geng Tanja, Schick Benjamin W., Uhl Matthias, Kuehne Alexander J. C., Kibler Ludwig A., Ceblin Maximilian U., Jacob Timo
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Hausmann Jan Niklas, Menezes Pramod V., Vijaykumar Gonela, Laun Konstantin, Diemant Thomas, Zebger Ingo, Jacob Timo, Driess Matthias, Menezes Prashanth W.
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Heubach Maren-Kathrin, Schuett Fabian M., Kibler Ludwig A., Abdelrahman Areeg, Jacob Timo
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Im Changbin, Kirchhoff Björn, Krivtsov Igor, Mitoraj Dariusz, Beranek Radim, Jacob Timo
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Maloul S., Borg M. van den, Müller C., Zedler L., Mengele A. K., Gaissmaier D., Jacob T., Rau S., Dietzek-Ivanšić B., Streb C.
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Mitoraj Dariusz, Krivtsov Igor, Li Chunyu, Rajagopal Ashwene, Im Changbin, Adler Christiane, Köble Kerstin, Khainakova Olena, Hniopek Julian, Neumann Christof, Turchanin Andrey, Silva Ivan, Schmitt Michael, Leiter Robert, Lehnert Tibor, Popp Jürgen, Kaiser Ute, Jacob Timo, Streb Carsten, Dietzek Benjamin, Beranek Radim
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Zech F., Schniertshauer D., Jung C., Herrmann A., Cordsmeier A., Xie Q., Nchioua R., Prelli Bozzo C., Volcic M., Koepke L., Müller J. A., Krüger J., Heller S., Stenger S., Hoffmann M., Pöhlmann S., Kleger A., Jacob T., Conzelmann K.-K., Ensser A., Sparrer K. M. J., Kirchhoff F.
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Schuett Fabian M., Zeller Sven J., Eckl Maximilian J., Matzik Felix M., Heubach Maren-Kathrin, Geng Tanja, Hermann Johannes M., Uhl Matthias, Kibler Ludwig A., Engstfeld Albert K., Jacob Timo
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Schuett Fabian M., Heubach Maren-Kathrin, Mayer Jerome, Ceblin Maximilian U., Kibler Ludwig A., Jacob Timo
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Piescheck Mathias, Abdelrahman Areeg, Hermann Johannes M., Müller Heiko, Jacob Timo, Kibler Ludwig A.
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Hassan Hagar K., Galal Ahmed, Atta Nada F., Jacob Timo
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Bertolini Samuel, Jacob Timo
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Mueller Jonathan E., Hoffmannová Hana, Hiratoko Tatsuya, Krtil Petr, Jacob Timo
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Hermann Johannes M., Müller Heiko, Daccache Layal, Adler Christiane, Keller Sarah, Metzler Martin, Jacob Timo, Kibler Ludwig A.
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Kirchhoff Björn, Jónsson Elvar Örn, Dohn Asmus Ougaard, Jacob Timo, Jónsson Hannes
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Kirchhoff B., Ivanov A., Skúlason E., Jacob T., Fantauzzi D., Jónsson H.
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Jung Christoph K., Braunwarth Laura, Sinyavskiy Andrey, Jacob Timo
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Jung C. K., Stottmeister D., Jacob T.
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Freund Robert R. A., Borg Matthias, Gaissmaier Daniel, Schlosser Robin, Jacob Timo, Arndt Hans-Dieter
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Gaissmaier Daniel, Borg Matthias, Fantauzzi Donato, Jacob Timo
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Kirchhoff Björn, Braunwarth Laura, Jung Christoph, Jónsson Hannes, Fantauzzi Donato, Jacob Timo
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Schuett F. M., Esau D., Varvaris K. L., Gelman S., Björk J., Rosen J., Jerkiewicz G., Jacob T.
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Braunwarth L., Jung C., Jacob T.
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Schuett Fabian M., Esau Derek, Varvaris K. Liam, Gelman Shelly, Björk Jonas, Rosen Johanna, Jerkiewicz Gregory, Jacob Timo
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Rajagopal A., Akbarzadeh E., Li C., Mitoraj D., Krivtsov I., Adler C., Diemant T., Biskupek J., Kaiser U., Im C., Heiland M., Jacob Tim, Streb Carsten, Dietzek B., Beranek R.
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Jung Christoph K., Braunwarth Laura, Jacob Timo
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Rulev Alexey A., Sergeev Artem V., Yashina Lada V., Jacob Timo, Itkis Daniil M.
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Krivtsov Igor, Mitoraj Dariusz, Adler Christiane, Ilkaeva Marina, Sardo Mariana, Mafra Luís, Neumann Christof, Turchanin Andrey, Li Chunyu, Dietzek Benjamin, Leiter Robert, Biskupek Johannes, Kaiser Ute, Im Changbin, Kirchhoff Björn, Jacob Timo, Beranek Radim
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Gorelik T. E., Neder R., Terban M. W., Lee Z., Mu Xiaoke, Jung Christoph, Jacob Timo, Kaiser U.
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Gili A., Schlicker L., Bekheet M. F., Görke O., Kober D., Simon U., Littlewood P., Schomäcker R., Doran A., Gaissmaier D., Jacob T., Selve S., Gurlo A.
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Blume L., Sauter U., Jacob Timo
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Galal A., Hassan H. K., Atta N. F., Abdel-Mageed A. M., Jacob T.
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Gaissmaier Daniel, Fantauzzi Donato, Jacob Timo
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Rajagopal A., Venter F., Jacob T., Petermann L., Rau S., Tschierlei S., Streb C.
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Galal A., Hassan H. K., Atta N. F., Jacob T.
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Ceblin Maximilian U., Zeller Sven, Schick Benjamin, Kibler Ludwig A., Jacob Timo
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Galal Ahmed, Hassan Hagar K., Atta Nada F., Jacob Timo
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Luo Yun, Kirchhoff Björn, Fantauzzi Donato, Calvillo Laura, Estudillo-Wong Luis Alberto, Granozzi Gaetano, Jacob Timo, Alonso-Vante Nicolas
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Pajkossy T., Müller C., Jacob T.
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Dave M., Rajagopal A., Damm-Ruttensperger M., Schwarz B., Nägele F., Daccache L., Fantauzzi D., Jacob T., Streb C.
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Scalia Alberto, Varzi Alberto, Lamberti Andrea, Tresso Elena, Jeong Sangsik, Jacob Timo, Passerini Stefano
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Galal Ahmed, Hassan Hagar K., Jacob Timo, Atta Nada F.
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Farkas Attila, Fantauzzi Donato, Mueller Jonathan E., Zhu Tianwei, Papp Christian, Steinrück Hans-Peter, Jacob Timo
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Zhu Tianwei, Mueller Jonathan E., Hanauer Matthias, Sauter Ulrich, Jacob Timo
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Galal A., Hassan H. K., Atta N. F., Jacob T.
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Heider E. A., Jacob T., Kibler L. A.
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Zhu Tianwei, Mueller Jonathan Edward, Hanauer Matthias, Sauter Ulrich, Jacob Timo
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Gao P., Chen Z., Zhao-Karger Z., Mueller J. E., Jung C., Klyatskaya S., Diemant T., Fuhr O., Jacob T., Behm R. J., Ruben M., Fichtner M.
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Chen Yan-Xin, Jacob Timo
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Daccache Layal, Zeller Sven, Jacob Timo
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Herrmann Sven, Aydemir Nihan, Nägele Florian, Fantauzzi Donato, Jacob Timo, Travas-Sejdic Jadranka, Streb Carsten
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Hassan Hagar K., Atta Nada F., Hamed Maher M., Galal Ahmed, Jacob Timo
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Fantauzzi Donato, Krick Calderón Sandra, Mueller Jonathan E., Grabau Mathias, Papp Christian, Steinrück Hans-Peter, Senftle Thomas P., Duin Adri C. T. van , Jacob Timo
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Berger C. A., Ceblin M. U., Jacob T.
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Andriyevsky B., Doll K., Jacob T.
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Plöger J., Mueller J. E., Jacob T., Anton J.
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Müller Claus, Vesztergom Soma, Pajkossy Tamás, Jacob Timo
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Berger Claudia A., Arkhipova Maria, Farkas Attila, Maas Gerhard, Jacob Timo
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Berger Claudia A., Arkhipova Maria, Maas Gerhard, Jacob Timo
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Popa C., Zhu T., Tranca I., Kaghazchi P., Jacob T., Hensen E. J. M.
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Müller C., Vesztergom S., Pajkossy T., Jacob T.
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Müller C., Nemeth K., Vesztergom S., Pajkossy T., Jacob T.
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Doll K., Jacob T.
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Andriyevsky B., Doll K., Jacob T.
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Müller M., Choudhury S., Gruber K., Cruz V. B., Fuchsbichler B., Jacob T., Koller S., Stamm M., Ionov L., Beckhoff B.
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Zhao-Karger Z., Mueller J. E., Zhao X., Fuhr O., Jacob T., Fichtner M.
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Poster
Köntje C., Berger C., Farkas A., Jacob T.
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Poster
Köntje C., Farkas A., Berger C., Jacob T.
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Poster
Köntje C., Farkas A., Berger C., Jacob T.
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Gao W., Müller J. E., Anton J., Jiang Q., Jacob T.
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Verelli R., Hassoun J., Farkas A., Jacob T., Scrosati B.
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Landstorfer M., Jacob T.
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Zhu T., Hensen E. J. M., van Santen R. A., Tian N., Sun S. G., Kaghazchi P., Jacob T.
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Chen W., Bartynski R. A., Kaghazchi P., Jacob T.
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Members
Dr. Josef AntonScientist, IT administrationTel: +49 (0731) 50 34128Mail: josef.anton(at)kit.edu
Research groupBasics of Electrochemistry
Maximilian CeblinPhD StudentTel: +49 (0731) 50 25425Mail: maximilian.ceblin(at)kit.edu
Research groupBasics of Electrochemistry
Daniel GaissmaierPhD StudentTel: +49 (0731) 50 26061Mail: daniel.gaissmaier(at)kit.edu
Research groupBasics of Electrochemistry
Prof. Dr. Timo JacobPrincipal Investigator (PI)Tel: +49 (0731) 50 25401Mail: nawi.ec(at)uni-ulm.de
Research groupBasics of Electrochemistry
Christoph JungPhD StudentTel: +49 (0731) 50 26061Mail: christoph.jung(at)kit.edu
Research groupBasics of Electrochemistry
Sven ZellerPhD StudentTel: +49 (0731) 50 25425Mail: sven.zeller(at)kit.edu
Research groupBasics of Electrochemistry
Research

(images will be uploaded shortly)

 

Applications of electrochemical methods are today widespread, making an impact in fields as diverse as manufacturing, consumer electronics, energy storage systems and transportation. Understanding fundamental aspects of the electrochemical processes involved is a mandatory step in the development of these applications.

 

The research group

Basics of Electrochemistry

Basics of Electrochemistry addresses basic aspects of Electrochemistry as relevant in the context of chemical energy storage. The techniques applied range from classical methods of electrochemical investigation (e.g. potentiostatic methods, impedance spectroscopy) to structural investigation techniques such as scanning tunnelling microscopy (STM), offering access to atomic-scale details. Methods applied in addition include electron microscopy, optical and electron spectroscopy. A brief overview of representative projects is given in the following.

Electrochemical characterization

Electrochemical characterization of electrodes in novel electrolytes. Cyclic voltammetry (CV) and in-situ electrochemical impedance spectroscopy (EIS) are used for the characterization of electrode materials in contact with complex electrolytes, such as organics and ionic liquids. The use of these novel electrolytes opens new interesting investigation possibilities, which were hitherto inaccessible by electrochemical methods in aqueous electrolytes. For instance, the electrochemical characterization of the electrode/electrolyte interface, but also issues of electrode stability during electrochemical cycling are addressed.

In-situ studies of metal Deposition

In-situ studies of metal Deposition: Metal deposition is a process of wide interest in both industry and electrochemical energy storage. Application of in-situ STM technique allows following the incipient phases of metal deposition under operation conditions by imaging the particle nucleation and subsequent growth through the (organic or ionic liquid) electrolyte. The use of additives to control the structure of the deposited metal film, or to mitigate the undesired plating processes, for example in lithium ion batteries, can be addressed by these techniques.

Studies on the electrode/electrolyte interface

Studies on the electrode/electrolyte interface in lithium-ion batteries. Deposition of metallic lithium at the electrodes drastically affects the safety in exploitation of lithium and lithium-ion batteries. Metallic lithium in its turn can facilitate a decomposition of the organic electrolyte, resulting in a complex layer of organic molecules at the electrode surface. On the other hand, formation of similar solid-electrolyte interphase (SEI) layers during the first charging cycles is essential for the long-term stability of a battery. These processes are studied in-situ by chemically sensitive methods, such as quartz crystal microbalance (QCMB) and optical spectroscopy (e.g. IR, Raman), complemented by structural insights from in-situ STM studies.

Multiscale Modeling

The research group Multiscale Modeling is concerned with the multiscale description of energy-relevant systems. The processes that take place in electrochemical storage media during charging and discharging are on different scales in terms of time and length. It is therefore necessary, given an appropriate theoretical description, for different methods and techniques to be developed and used. By combining these methods, it is possible to describe and predict the properties of electrochemical cells even without using empirical parameters. For example, to simulate the macroscopic transfer of charge or mass it is necessary to know various factors, such as the energy barriers for the individual elementary diffusion steps of the charge carriers. However, precisely such information can be determined at the atomic scale, where the structure and energy of corresponding model systems can be determined using the appropriate ab initio methods.

 

A primary goal of our activities is to establish a coupling between the different scales by first linking the relevant theoretical models with one another and then applying them to energy-relevant systems (e.g., lithium-ion or lithium-air ones). The specific goal is to reach a fundamental understanding of the important processes at the mesoscopic or macroscopic levels, with the determining elementary processes being described on the microscopic scale.

 

Methodologically, multiscale coupling is achieved horizontally via an embedding procedure and vertically on the basis of parameter passing. This involves methods ranging from microscopic modeling using quantum chemical techniques to molecular dynamics and statistical mechanics to the macroscopic description of electrochemical systems on the basis of coupled differential equations. The focus is on the coupling between the scales involved.

Equipment
  • Potenstiostate-Galvanostate
  • Elektrochemische Impedanzspektroskopie
  • Verschiedene elektrochemische Zellen
  • Elektrochemische Quarz-Mikrowaagenmikroskopie (EQCM)
  • Rotierende Scheibenelektroden (RDE)
  • Rasterelektronenmikroskopie (REM)
  • In-situ Rastertunnelmikroskopie (STM)
  • In-situ Rasterkraftmikroskopie (STM)
  • Auger-Spektroskopie
  • In-situ Infrarotspektroskopie (ATR-FTIR)
  • In-situ Ramanspektroskopie
  • AMD Compute-Cluster
Collaboration

The research group Multiscale Modeling at HIU is well connected with research partners from academia and industry, including various national and international electrochemistry institutes. Internally, the group works closely with the research groups Elementary Processes, Electrochemical Multiphysics Modeling and Solid-State Chemistry.

Publications
Zeitschriftenaufsatz
Zech Fabian, Jung Christoph, Jacob Timo, Kirchhoff Frank
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Zeitschriftenaufsatz
Schick Benjamin W., Hou Xu, Vanoppen Viktor, Uhl Matthias, Kruck Matthias, Berg Erik J., Jacob Timo
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Uhl Matthias, Sadeeda, Penert Philipp, Schuster Philipp A., Schick Benjamin W., Muench Simon, Farkas Attila, Schubert Ulrich S., Esser Birgit, Kuehne Alexander J. C., Jacob Timo
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Zeitschriftenaufsatz
Hassan Hagar K., Hoffmann Paul, Jacob Timo
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Zeitschriftenaufsatz
Schuster Philipp A., Uhl Matthias, Kissmann Ann-Kathrin, Jansen Felicitas, Geng Tanja, Ceblin Maximilian U., Spiewok Sarah, Rosenau Frank, Jacob Timo, Kuehne Alexander J. C.
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Zeitschriftenaufsatz
Bogenrieder Stefanie E., Beßner Julian, Engstfeld Albert K., Jacob Timo
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Zeitschriftenaufsatz
Elnagar Mohamed M., Liessem Johannes, Im Changbin, Mitoraj Dariusz, Kibler Ludwig A., Neumann Christof, Turchanin Andrey, Leiter Robert, Kaiser Ute, Jacob Timo, Krivtsov Igor, Beranek Radim
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Zeitschriftenaufsatz
Mondal Indranil, Menezes Pramod V., Laun Konstantin, Diemant Thomas, Al-Shakran Mohammad, Zebger Ingo, Jacob Timo, Driess Matthias, Menezes Prashanth W.
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Zeitschriftenaufsatz
Kirchhoff Björn, Jung Christoph, Gaissmaier Daniel, Braunwarth Laura, Fantauzzi Donato, Jacob Timo
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Zeitschriftenaufsatz
Yang Hongyuan, Menezes Pramod V., Dai Guoliang, Vijaykumar Gonela, Chen Ziliang, Al-Shakran Mohammad, Jacob Timo, Driess Matthias, Menezes Prashanth W.
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Zeitschriftenaufsatz
Bord Julia, Kirchhoff Björn, Baldofski Matthias, Jung Christoph, Jacob Timo
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Zeitschriftenaufsatz
Im Changbin, Kirchhoff Björn, Krivtsov Igor, Mitoraj Dariusz, Beranek Radim, Jacob Timo
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Zeitschriftenaufsatz
Fiesinger Florian, Gaissmaier Daniel, van den Borg Matthias, Beßner Julian, van Duin Adri C. T., Jacob Timo
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Zeitschriftenaufsatz
Uhl Matthias, Geng Tanja, Schuster Philipp A., Schick Benjamin W., Kruck Matthias, Fuoss Alexander, Kuehne Alexander J. C., Jacob Timo
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Zeitschriftenaufsatz
Braunwarth Laura, Jung Christoph, Jacob Timo
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Forschungsbericht
Kirchhoff Björn, Jónsson Elvar Ö., Jacob Timo, Jónsson Hannes
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Zeitschriftenaufsatz
Kirchhoff Björn, Jónsson Elvar Ö., Jacob Timo, Jónsson Hannes
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Zeitschriftenaufsatz
Elkhafif Omar W., Hassan Hagar K., Ceblin Maximilian U., Farkas Attila, Jacob Timo
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Zeitschriftenaufsatz
Elnagar Mohamed M., Menezes Pramod V., Parada Walter A., Mattausch Yannick, Kibler Ludwig A., Mayrhofer Karl J. J., Jacob Timo
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Zeitschriftenaufsatz
Wang Qingxing, Noettger Sabrina, Xie Qinya, Pastorio Chiara, Seidel Alina, Müller Janis A., Jung Christoph, Jacob Timo, Sparrer Konstantin M. J., Zech Fabian, Kirchhoff Frank
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Zeitschriftenaufsatz
Jung Christoph Karsten, Münch Jan, Jacob Timo
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Zeitschriftenaufsatz
Kang Sinwoo, Im Changbin, Spanos Ioannis, Ham Kahyun, Lim Ahyoun, Jacob Timo, Schlögl Robert, Lee Jaeyoung
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Zeitschriftenaufsatz
Esau Derek, Schuett Fabian M., Varvaris K. Liam, Kibler Ludwig A., Jacob Timo, Jerkiewicz Gregory
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Zeitschriftenaufsatz
Zaubitzer Steve, Dongmo Saustin, Schüler Philipp, Krieck Sven, Fiesinger Florian, Gaissmaier Daniel, van den Borg Matthias, Jacob Timo, Westerhausen Matthias, Wohlfahrt-Mehrens Margret, Marinaro Mario
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Zeitschriftenaufsatz
Fiesinger Florian, Gaissmaier Daniel, Borg Matthias, Jacob Timo
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Zeitschriftenaufsatz
Pastorio Chiara, Zech Fabian, Noettger Sabrina, Jung Christoph, Jacob Timo, Sanderson Theo, Sparrer Konstantin M. J., Kirchhoff Frank
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Zeitschriftenaufsatz
Schüler Philipp, Sengupta Simon, Zaubitzer Steve, Fiesinger Florian, Dongmo Saustin, Görls Helmar, Wohlfahrt-Mehrens Margret, Borg Matthias, Gaissmaier Daniel, Krieck Sven, Marinaro Mario, Jacob Timo, Westerhausen Matthias
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Zeitschriftenaufsatz
Bertolini Samuel, Jacob Timo
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Zeitschriftenaufsatz
Kirchhoff Björn, Jung Christoph, Jónsson Hannes, Fantauzzi Donato, Jacob Timo
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Zeitschriftenaufsatz
Geng Tanja, Zeller Sven J., Kibler Ludwig A., Ceblin Maximilian U., Jacob Timo
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Zeitschriftenaufsatz
Menezes P. V., Elnagar M. M., Al-Shakran M., Eckl M. J., Menezes P. W., Kibler L. A., Jacob T.
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Zeitschriftenaufsatz
Borg Matthias van den, Gaissmaier Daniel, Fantauzzi Donato, Knobbe Edwin, Jacob Timo
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Zeitschriftenaufsatz
Bertolini Samuel, Jacob Timo
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Zeitschriftenaufsatz
Bertolini Samuel, Jacob Timo
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Zeitschriftenaufsatz
Zeller Sven J., Geng Tanja, Ceblin Maximilian U., Uhl Matthias, Kuehne Alexander J. C., Kibler Ludwig A., Jacob Timo
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Zeitschriftenaufsatz
Hassan Hagar K., Farkas Attila, Varzi Alberto, Jacob Timo
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Zeitschriftenaufsatz
Geng Tanja, Schick Benjamin W., Uhl Matthias, Kuehne Alexander J. C., Kibler Ludwig A., Ceblin Maximilian U., Jacob Timo
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Zeitschriftenaufsatz
Hausmann Jan Niklas, Menezes Pramod V., Vijaykumar Gonela, Laun Konstantin, Diemant Thomas, Zebger Ingo, Jacob Timo, Driess Matthias, Menezes Prashanth W.
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Zeitschriftenaufsatz
Heubach Maren-Kathrin, Schuett Fabian M., Kibler Ludwig A., Abdelrahman Areeg, Jacob Timo
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Forschungsbericht
Im Changbin, Kirchhoff Björn, Krivtsov Igor, Mitoraj Dariusz, Beranek Radim, Jacob Timo
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Zeitschriftenaufsatz
Maloul S., Borg M. van den, Müller C., Zedler L., Mengele A. K., Gaissmaier D., Jacob T., Rau S., Dietzek-Ivanšić B., Streb C.
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Zeitschriftenaufsatz
Mitoraj Dariusz, Krivtsov Igor, Li Chunyu, Rajagopal Ashwene, Im Changbin, Adler Christiane, Köble Kerstin, Khainakova Olena, Hniopek Julian, Neumann Christof, Turchanin Andrey, Silva Ivan, Schmitt Michael, Leiter Robert, Lehnert Tibor, Popp Jürgen, Kaiser Ute, Jacob Timo, Streb Carsten, Dietzek Benjamin, Beranek Radim
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Zeitschriftenaufsatz
Zech F., Schniertshauer D., Jung C., Herrmann A., Cordsmeier A., Xie Q., Nchioua R., Prelli Bozzo C., Volcic M., Koepke L., Müller J. A., Krüger J., Heller S., Stenger S., Hoffmann M., Pöhlmann S., Kleger A., Jacob T., Conzelmann K.-K., Ensser A., Sparrer K. M. J., Kirchhoff F.
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Zeitschriftenaufsatz
Schuett Fabian M., Zeller Sven J., Eckl Maximilian J., Matzik Felix M., Heubach Maren-Kathrin, Geng Tanja, Hermann Johannes M., Uhl Matthias, Kibler Ludwig A., Engstfeld Albert K., Jacob Timo
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Zeitschriftenaufsatz
Schuett Fabian M., Heubach Maren-Kathrin, Mayer Jerome, Ceblin Maximilian U., Kibler Ludwig A., Jacob Timo
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Zeitschriftenaufsatz
Piescheck Mathias, Abdelrahman Areeg, Hermann Johannes M., Müller Heiko, Jacob Timo, Kibler Ludwig A.
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Zeitschriftenaufsatz
Hassan Hagar K., Galal Ahmed, Atta Nada F., Jacob Timo
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Zeitschriftenaufsatz
Bertolini Samuel, Jacob Timo
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Zeitschriftenaufsatz
Mueller Jonathan E., Hoffmannová Hana, Hiratoko Tatsuya, Krtil Petr, Jacob Timo
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Zeitschriftenaufsatz
Hermann Johannes M., Müller Heiko, Daccache Layal, Adler Christiane, Keller Sarah, Metzler Martin, Jacob Timo, Kibler Ludwig A.
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Zeitschriftenaufsatz
Kirchhoff Björn, Jónsson Elvar Örn, Dohn Asmus Ougaard, Jacob Timo, Jónsson Hannes
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Zeitschriftenaufsatz
Kirchhoff B., Ivanov A., Skúlason E., Jacob T., Fantauzzi D., Jónsson H.
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Zeitschriftenaufsatz
Jung Christoph K., Braunwarth Laura, Sinyavskiy Andrey, Jacob Timo
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Zeitschriftenaufsatz
Jung C. K., Stottmeister D., Jacob T.
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Zeitschriftenaufsatz
Freund Robert R. A., Borg Matthias, Gaissmaier Daniel, Schlosser Robin, Jacob Timo, Arndt Hans-Dieter
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Zeitschriftenaufsatz
Gaissmaier Daniel, Borg Matthias, Fantauzzi Donato, Jacob Timo
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Zeitschriftenaufsatz
Kirchhoff Björn, Braunwarth Laura, Jung Christoph, Jónsson Hannes, Fantauzzi Donato, Jacob Timo
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Zeitschriftenaufsatz
Schuett F. M., Esau D., Varvaris K. L., Gelman S., Björk J., Rosen J., Jerkiewicz G., Jacob T.
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Zeitschriftenaufsatz
Braunwarth L., Jung C., Jacob T.
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Zeitschriftenaufsatz
Schuett Fabian M., Esau Derek, Varvaris K. Liam, Gelman Shelly, Björk Jonas, Rosen Johanna, Jerkiewicz Gregory, Jacob Timo
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Zeitschriftenaufsatz
Rajagopal A., Akbarzadeh E., Li C., Mitoraj D., Krivtsov I., Adler C., Diemant T., Biskupek J., Kaiser U., Im C., Heiland M., Jacob Tim, Streb Carsten, Dietzek B., Beranek R.
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Zeitschriftenaufsatz
Jung Christoph K., Braunwarth Laura, Jacob Timo
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Zeitschriftenaufsatz
Rulev Alexey A., Sergeev Artem V., Yashina Lada V., Jacob Timo, Itkis Daniil M.
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Zeitschriftenaufsatz
Krivtsov Igor, Mitoraj Dariusz, Adler Christiane, Ilkaeva Marina, Sardo Mariana, Mafra Luís, Neumann Christof, Turchanin Andrey, Li Chunyu, Dietzek Benjamin, Leiter Robert, Biskupek Johannes, Kaiser Ute, Im Changbin, Kirchhoff Björn, Jacob Timo, Beranek Radim
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Zeitschriftenaufsatz
Gorelik T. E., Neder R., Terban M. W., Lee Z., Mu Xiaoke, Jung Christoph, Jacob Timo, Kaiser U.
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Zeitschriftenaufsatz
Gili A., Schlicker L., Bekheet M. F., Görke O., Kober D., Simon U., Littlewood P., Schomäcker R., Doran A., Gaissmaier D., Jacob T., Selve S., Gurlo A.
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Zeitschriftenaufsatz
Blume L., Sauter U., Jacob Timo
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Zeitschriftenaufsatz
Galal A., Hassan H. K., Atta N. F., Abdel-Mageed A. M., Jacob T.
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Zeitschriftenaufsatz
Gaissmaier Daniel, Fantauzzi Donato, Jacob Timo
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Zeitschriftenaufsatz
Rajagopal A., Venter F., Jacob T., Petermann L., Rau S., Tschierlei S., Streb C.
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Zeitschriftenaufsatz
Galal A., Hassan H. K., Atta N. F., Jacob T.
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Zeitschriftenaufsatz
Ceblin Maximilian U., Zeller Sven, Schick Benjamin, Kibler Ludwig A., Jacob Timo
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Zeitschriftenaufsatz
Galal Ahmed, Hassan Hagar K., Atta Nada F., Jacob Timo
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Zeitschriftenaufsatz
Luo Yun, Kirchhoff Björn, Fantauzzi Donato, Calvillo Laura, Estudillo-Wong Luis Alberto, Granozzi Gaetano, Jacob Timo, Alonso-Vante Nicolas
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Zeitschriftenaufsatz
Pajkossy T., Müller C., Jacob T.
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Zeitschriftenaufsatz
Dave M., Rajagopal A., Damm-Ruttensperger M., Schwarz B., Nägele F., Daccache L., Fantauzzi D., Jacob T., Streb C.
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Zeitschriftenaufsatz
Scalia Alberto, Varzi Alberto, Lamberti Andrea, Tresso Elena, Jeong Sangsik, Jacob Timo, Passerini Stefano
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Zeitschriftenaufsatz
Galal Ahmed, Hassan Hagar K., Jacob Timo, Atta Nada F.
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Zeitschriftenaufsatz
Farkas Attila, Fantauzzi Donato, Mueller Jonathan E., Zhu Tianwei, Papp Christian, Steinrück Hans-Peter, Jacob Timo
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Zeitschriftenaufsatz
Zhu Tianwei, Mueller Jonathan E., Hanauer Matthias, Sauter Ulrich, Jacob Timo
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Zeitschriftenaufsatz
Galal A., Hassan H. K., Atta N. F., Jacob T.
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Zeitschriftenaufsatz
Heider E. A., Jacob T., Kibler L. A.
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Zeitschriftenaufsatz
Zhu Tianwei, Mueller Jonathan Edward, Hanauer Matthias, Sauter Ulrich, Jacob Timo
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Zeitschriftenaufsatz
Gao P., Chen Z., Zhao-Karger Z., Mueller J. E., Jung C., Klyatskaya S., Diemant T., Fuhr O., Jacob T., Behm R. J., Ruben M., Fichtner M.
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Zeitschriftenaufsatz
Chen Yan-Xin, Jacob Timo
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Zeitschriftenaufsatz
Daccache Layal, Zeller Sven, Jacob Timo
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Zeitschriftenaufsatz
Herrmann Sven, Aydemir Nihan, Nägele Florian, Fantauzzi Donato, Jacob Timo, Travas-Sejdic Jadranka, Streb Carsten
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Zeitschriftenaufsatz
Hassan Hagar K., Atta Nada F., Hamed Maher M., Galal Ahmed, Jacob Timo
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Zeitschriftenaufsatz
Fantauzzi Donato, Krick Calderón Sandra, Mueller Jonathan E., Grabau Mathias, Papp Christian, Steinrück Hans-Peter, Senftle Thomas P., Duin Adri C. T. van , Jacob Timo
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Zeitschriftenaufsatz
Berger C. A., Ceblin M. U., Jacob T.
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Zeitschriftenaufsatz
Andriyevsky B., Doll K., Jacob T.
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Zeitschriftenaufsatz
Plöger J., Mueller J. E., Jacob T., Anton J.
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Zeitschriftenaufsatz
Müller Claus, Vesztergom Soma, Pajkossy Tamás, Jacob Timo
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Zeitschriftenaufsatz
Berger Claudia A., Arkhipova Maria, Farkas Attila, Maas Gerhard, Jacob Timo
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Zeitschriftenaufsatz
Berger Claudia A., Arkhipova Maria, Maas Gerhard, Jacob Timo
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Zeitschriftenaufsatz
Popa C., Zhu T., Tranca I., Kaghazchi P., Jacob T., Hensen E. J. M.
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Zeitschriftenaufsatz
Müller C., Vesztergom S., Pajkossy T., Jacob T.
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Zeitschriftenaufsatz
Müller C., Nemeth K., Vesztergom S., Pajkossy T., Jacob T.
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Zeitschriftenaufsatz
Doll K., Jacob T.
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Zeitschriftenaufsatz
Andriyevsky B., Doll K., Jacob T.
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Zeitschriftenaufsatz
Müller M., Choudhury S., Gruber K., Cruz V. B., Fuchsbichler B., Jacob T., Koller S., Stamm M., Ionov L., Beckhoff B.
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Zeitschriftenaufsatz
Zhao-Karger Z., Mueller J. E., Zhao X., Fuhr O., Jacob T., Fichtner M.
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Poster
Köntje C., Berger C., Farkas A., Jacob T.
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Poster
Köntje C., Farkas A., Berger C., Jacob T.
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Poster
Köntje C., Farkas A., Berger C., Jacob T.
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Zeitschriftenaufsatz
Gao W., Müller J. E., Anton J., Jiang Q., Jacob T.
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Zeitschriftenaufsatz
Verelli R., Hassoun J., Farkas A., Jacob T., Scrosati B.
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Zeitschriftenaufsatz
Landstorfer M., Jacob T.
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Zeitschriftenaufsatz
Zhu T., Hensen E. J. M., van Santen R. A., Tian N., Sun S. G., Kaghazchi P., Jacob T.
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Zeitschriftenaufsatz
Chen W., Bartynski R. A., Kaghazchi P., Jacob T.
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Group Facts

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