Components and Cells

Components and Cells addresses the scientific and technological issues associated with the integration and application of innovative materials and processes for a given electrochemical storage system and aims to develop a platform for the cost and resource-efficient production of batteries.

High-capacity and high-voltage cathode materials will be transferred and adapted from the laboratory level according to the demands of an industrial process technology.
Tailor-made particle and electrode structures will be designed and assembled according to innovativev 3D cell designs.
Crucial stages in the process chain will be improved with respect to enhanced performance, but above all for a sustainable and cost-optimized production.

Publikationsliste

2024

Journal Articles

Döhn, J.; Groß, A.
Computational Screening of Oxide Perovskites as Insertion‐Type Cathode Material
2024. Advanced Energy and Sustainability Research, 5 (3), Art.-Nr.: 2300204. doi:10.1002/aesr.202300204

Häringer, M.; Geßwein, H.; Bohn, N.; Ehrenberg, H.; Binder, J. R.
Influence of Process Parameters on the Electrochemical Properties of Hierarchically Structured Na₃V₂(PO₄)₃/C Composites
2024. ChemElectroChem, 11 (3), e202300401. doi:10.1002/celc.202300401

Kutlu, A. C.; Nötzel, D.; Ziebert, C.; Seifert, H. J.; Ul Mohsin, I.
Cover Feature: 3D Printing of Na1.3Al0.3Ti1.7(PO4)3 Solid Electrolyte via Fused Filament Fabrication for All-Solid-State Sodium-Ion Batteries (Batteries & Supercaps 1/2024)
2024. Batteries & Supercaps, 7 (1), Art.-Nr.: e202300577. doi:10.1002/batt.202300577

Linz, M.; Bühner, F.; Paulus, D.; Hennerici, L.; Guo, Y.; Mereacre, V.; Mansfeld, U.; Seipenbusch, M.; Kita, J.; Moos, R.
Revealing the Deposition Mechanism of the Powder Aerosol Deposition Method Using Ceramic Oxide Core–Shell Particles
2024. Advanced Materials, 36 (7), Art.-Nr.: 2308294. doi:10.1002/adma.202308294

Uhl, M.; Sadeeda; Penert, P.; Schuster, P. A.; Schick, B. W.; Muench, S.; Farkas, A.; Schubert, U. S.; Esser, B.; Kuehne, A. J. C.; Jacob, T.
All‐Organic Battery Based on Deep Eutectic Solvent and Redox‐Active Polymers
2024. ChemSusChem, 17 (1), Art.-Nr.: e202301057. doi:10.1002/cssc.202301057

Stüble, P.; Müller, C.; Klemens, J.; Scharfer, P.; Schabel, W.; Häringer, M.; Binder, J. R.; Hofmann, A.; Smith, A.
Enabling Long‐term Cycling Stability of Na₃V₂(PO₄)₃ /C vs . Hard Carbon Full‐cells
2024. Batteries and Supercaps, 7 (2), Art.-Nr. e202300375. doi:10.1002/batt.202300375

Hassan, H. K.; Hoffmann, P.; Jacob, T.
Effect of Guest Solvents on the Ionic Conductivity and Electrochemical Performance of Metal‐Organic Framework‐Based Magnesium Semi‐Solid Electrolytes
2024. ChemSusChem, 17 (5), Art.Nr.: e202301362. doi:10.1002/cssc.202301362

Sotoudeh, M.; Baumgart, S.; Dillenz, M.; Döhn, J.; Forster-Tonigold, K.; Helmbrecht, K.; Stottmeister, D.; Groß, A.
Ion Mobility in Crystalline Battery Materials
2024. Advanced Energy Materials, 14 (4), Art.Nr.: 2302550. doi:10.1002/aenm.202302550

Schick, B. W.; Hou, X.; Vanoppen, V.; Uhl, M.; Kruck, M.; Berg, E. J.; Jacob, T.
Revealing the Structural Evolution of Electrode/Electrolyte Interphase Formation during Magnesium Plating and Stripping with operando EQCM‐D
2024. ChemSusChem, 17 (4), Art.-Nr.: e202301269. doi:10.1002/cssc.202301269

Rahide, F.; Palanisamy, K.; Flowers, J. K.; Hao, J.; Stein, H. S.; Kranz, C.; Ehrenberg, H.; Dsoke, S.
Modification of Al Surface via Acidic Treatment and its Impact on Plating and Stripping
2024. ChemSusChem, 17 (5), Art.Nr.: e202301142. doi:10.1002/cssc.202301142

Khudyshkina, A. D.; Rauska, U.-C.; Butzelaar, A. J.; Hoffmann, M.; Wilhelm, M.; Theato, P.; Jeschull, F.
Impact of Nano‐sized Inorganic Fillers on PEO‐based Electrolytes for Potassium Batteries
2024. Batteries and Supercaps, 7 (1), Art.-Nr.: e202300404. doi:10.1002/batt.202300404

Kutlu, A. C.; Nötzel, D.; Ziebert, C.; Seifert, H. J.; Mohsin, I. U.
3D Printing of Na

_{1.3}

_{0.3}

_{1.7}

(PO

_{4}

)

_{3}

Solid Electrolyte via Fused Filament Fabrication for All‐Solid‐State Sodium‐Ion Batteries
2024. Batteries & Supercaps, 7 (1), e202300357. doi:10.1002/batt.202300357

2023

Journal Articles

Sternberg, U.; Witter, R.
Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations
2023. Magnetic Resonance in Chemistry. doi:10.1002/mrc.5403

Ullah, S.; Ohsawa, O.; Ishaq, T.; Hashmi, M.; Sarwar, M. N.; Zhu, C.; Ge, Y.; Jang, Y.; Kim, I. S.
Fabrication of Novel Hemp Charcoal Nanofiber Membrane for Effectual Adsorption of Heavy Metal Ions from Wastewater
2023. Sustainability, 15 (12), Article no: 9365. doi:10.3390/su15129365

Cetindere, S.; Ardic Alidagi, H.; Anjass, M.
Two novel Anderson-type polyoxometalate based MnIII complexes constructed from pyrene derivatives: Synthesis, photophysical, and electrochemical properties
2023. Inorganica Chimica Acta, 545, 121280. doi:10.1016/j.ica.2022.121280

Groß, A.
Challenges in the modeling of elementary steps in electrocatalysis
2023. Current Opinion in Electrochemistry, 37, 101170. doi:10.1016/j.coelec.2022.101170

Arya, N.; Philipp, T.; Greiner, S.; Steiner, M.; Kranz, C.; Anjass, M.
Reversible Electrodeposition of Potassium‐bridged Molecular Vanadium Oxides: A New Approach Towards Multi‐Electron Storage
2023. Angewandte Chemie International Edition, 62 (35). doi:10.1002/anie.202306170

Stehle, P.; Rutz, D.; Bazzoun, A. M.; Seidl, C.; Bauer, I.; Anjass, M.
Application of Perforated Reference Electrodes in Small Cell Formats for Rate Tests and Electrochemical Impedance Spectroscopy
2023. Energy Technology, 11 (8), Article no: 2300278. doi:10.1002/ente.202300278

Ghosh, M.; Sorsche, D.; Binte Ahmed, R.; Anjass, M.
Stabilizing Decavanadate Cluster as Electrode Material in Sodium and Lithium‐ion Batteries
2023. ChemSusChem, 16 (24). doi:10.1002/cssc.202300631

Varvaris, K. L.; Esau, D.; Schuett, F. M.; Jacob, T.; Jerkiewicz, G.
Surface Structure Dependence of Electrochemical Processes at Monocrystalline Nickel Electrodes. Part 1: The Hydrogen Evolution Reaction
2023. The Journal of Physical Chemistry C, 127 (30), 14711–14722. doi:10.1021/acs.jpcc.3c01698

Putra, M. H.; Bagemihl, B.; Rau, S.; Groß, A.
Prediction of Strong Solvatochromism in a Molecular Photocatalyst
2023. Chemistry – A European Journal, Art.-Nr.: e202302643. doi:10.1002/chem.202302643

Jung, C. K.; Münch, J.; Jacob, T.
Conformational States of the CXCR4 Inhibitor Peptide EPI-X4—A Theoretical Analysis
2023. International Journal of Molecular Sciences, 24 (22), Art.-Nr.: 16229. doi:10.3390/ijms242216229

Elnagar, M. M.; Liessem, J.; Im, C.; Mitoraj, D.; Kibler, L. A.; Neumann, C.; Turchanin, A.; Leiter, R.; Kaiser, U.; Jacob, T.; Krivtsov, I.; Beranek, R.
Water-soluble ionic carbon nitride as unconventional stabilizer for highly catalytically active ultrafine gold nanoparticles
2023. Nanoscale, 15 (47), 19268–19281. doi:10.1039/d3nr03375a

Stottmeister, D.; Wildersinn, L.; Maibach, J.; Hofmann, A.; Jeschull, F.; Groß, A.
Unraveling Propylene Oxide Formation in Alkali Metal Batteries
2023. ChemSusChem, 17 (3), Art.Nr.: e202300995. doi:10.1002/cssc.202300995

Schilling, M.; Eifert, L.; Köble, K.; Jaugstetter, M.; Bevilacqua, N.; Fahy, K. F.; Tschulik, K.; Bazylak, A.; Zeis, R.
Investigating the Influence of Treatments on Carbon Felts for Vanadium Redox Flow Batteries
2023. ChemSusChem, 17 (1), Art.-Nr.: e202301063. doi:10.1002/cssc.202301063

Colombo, F.; Müller, M.; Weber, A.; Keim, N.; Jeschull, F.; Bauer, W.; Ehrenberg, H.
Electrochemical investigation of fluorine-containing Li-salts as slurry cathode additives for tunable rheology in super high solid content NMP slurries
2023. Energy Advances, 2, 2093–2108. doi:10.1039/d3ya00246b

Li, S.; Lin, J.; Schaller, M.; Indris, S.; Zhang, X.; Brezesinski, T.; Nan, C.-W.; Wang, S.; Strauss, F.
High‐Entropy Lithium Argyrodite Solid Electrolytes Enabling Stable All‐Solid‐State Batteries
2023. Angewandte Chemie International Edition, 62 (50), Art.Nr.: e202314155. doi:10.1002/anie.202314155

Cheng, R.; Liu, J.; Manasa, P.; Zhou, M.; Guan, Y.; Zhang, K.; Lin, X.; Rosei, F.; Pimerzin, A. A.; Seifert, H. J.; Xu, F.; Sun, L.; Cai, D.; Zeng, J.; Cao, Z.; Pan, H.
Mechanism and thermal effects of phytic acid-assisted porous carbon sheets for high-performance lithium–sulfur batteries
2023. Inorganic Chemistry Frontiers, 10, 7038–7053. doi:10.1039/D3QI01926H

Yang, A.; Yao, K.; Schaller, M.; Dashjav, E.; Li, H.; Zhao, S.; Zhao, S.; Zhang, Q.; Etter, M.; Shen, X.; Song, H.; Lu, Q.; Ye, R.; Moudrakovski, I.; Pang, Q.; Indris, S.; Wang, X.; Ma, Q.; Tietz, F.; Chen, J.; Guillon, O.
Enhanced room-temperature Na+ ionic conductivity in Na

_{4.92}

_{0.92}

_{0.08}

_{4}

_{12}

2023. eScience, 3 (6), Art.-Nr.: 100175. doi:10.1016/j.esci.2023.100175

Madani, S. S.; Ziebert, C.; Marzband, M.
Thermal Characteristics and Safety Aspects of Lithium-Ion Batteries: An In-Depth Review
2023. Symmetry, 15 (10), Article no: 1925. doi:10.3390/sym15101925

Yang, H.; Menezes, P. V.; Dai, G.; Vijaykumar, G.; Chen, Z.; Al-Shakran, M.; Jacob, T.; Driess, M.; Menezes, P. W.
Activation of nickel foam through in-liquid plasma-induced phosphorus incorporation for efficient quasi-industrial water oxidation and selective oxygenation of organics
2023. Applied Catalysis B: Environmental, 324, 122249. doi:10.1016/j.apcatb.2022.122249

Meyer, A.; Zhu, P.; Smith, A.; Pfleging, W.
Gaining a New Technological Readiness Level for Laser-Structured Electrodes in High-Capacity Lithium-Ion Pouch Cells
2023. Batteries, 9 (11), Article no: 548. doi:10.3390/batteries9110548

Naumann, J.; Bohn, N.; Birkholz, O.; Neumann, M.; Müller, M.; Binder, J. R.; Kamlah, M.
Morphology‐Dependent Influences on the Performance of Battery Cells with a Hierarchically Structured Positive Electrode**
2023. Batteries & Supercaps, 6 (12), Art.-Nr.: e202300264. doi:10.1002/batt.202300264

Forster-Tonigold, K.; Buchner, F.; Groß, A.; Behm, R. J.
Reactive Interactions between the Ionic Liquid BMP‐TFSI and a Na Surface
2023. Batteries and Supercaps, 6 (12), e202300336. doi:10.1002/batt.202300336

Wang, Q.; Noettger, S.; Xie, Q.; Pastorio, C.; Seidel, A.; Müller, J. A.; Jung, C.; Jacob, T.; Sparrer, K. M. J.; Zech, F.; Kirchhoff, F.
Determinants of species-specific utilization of ACE2 by human and animal coronaviruses
2023. Communications Biology, 6 (1), 1051. doi:10.1038/s42003-023-05436-3

Ma, L.; Schabel, S.; Fleischer, J.
Cutting of Battery and Fuel Cell Components Synergies from a Production Engineering Perspective; [Schneiden von Batterie- und Brennstoffzellenkomponenten - Synergien aus produktionstechnischer Sicht]
2023. ZWF Zeitschrift fuer Wirtschaftlichen Fabrikbetrieb, 118 (9), 561 – 566. doi:10.1515/zwf-2023-1126

Otte, S.; Mayer, D.; Fleischer, J.
Kontinuierliches Mischen in der Batteriezellproduktion Digitaler Zwilling zur Steuerungscodevalidierung [Digital Twin for control code validation in battery cell production]
2023. wt Werkstattstechnik online, 113 (07-08), 272 – 277. doi:10.37544/1436-4980-2023-07-08-6

Ata, S.; Zaheer, W.; Tabassum, A.; Ul Mohsin, I.; Altaf, I.; ur Rehman, A.; Al Huwayz, M.; Alwadai, N.; Nazir, A.; Iqbal, M.
Zn/Mn co‐doped NiO synthesized by sol‐gel route for the photocatalytic degradation of methylene blue dye
2023. ChemistrySelect, 8 (37), Art.-Nr.: e202301940. doi:10.1002/slct.202301940

Meyer, A.; Sterzl, Y.; Pfleging, W.
High repetition ultrafast laser ablation of graphite and silicon/graphite composite electrodes for lithium-ion batteries
2023. Journal of Laser Applications, 35 (4), Art.-Nr.: 042036. doi:10.2351/7.0001180

Köble, K.; Schilling, M.; Eifert, L.; Bevilacqua, N.; Fahy, K. F.; Atanassov, P.; Bazylak, A.; Zeis, R.
Revealing the Multifaceted Impacts of Electrode Modifications for Vanadium Redox Flow Battery Electrodes
2023. ACS Applied Materials & Interfaces, 15 (40), 46775–46789. doi:10.1021/acsami.3c07940

Wei, Z.; Singh, D. K.; Helmbrecht, K.; Sann, J.; Yusim, Y.; Kieser, J. A.; Glaser, C.; Rohnke, M.; Groß, A.; Janek, J.
In Situ Observation of Room‐Temperature Magnesium Metal Deposition on a NASICON/IL Hybrid Solid Electrolyte
2023. Advanced Energy Materials, 13 (44), Art.-Nr.: 2302525. doi:10.1002/aenm.202302525

Rist, U.; Falkowski, V.; Pfleging, W.
Electrochemical Properties of Laser-Printed Multilayer Anodes for Lithium-Ion Batteries
2023. Nanomaterials, 13 (17), Art.Nr.: 2411. doi:10.3390/nano13172411

Ul Mohsin, I.; Riedel, S.; Xiu, Y.; Zhao-Karger, Z.; Ziebert, C.
New Insights into Self‐Discharge and Heat Generation in Magnesium Batteries
2023. Batteries & Supercaps, 6 (7), Art.-Nr.: e202300251. doi:10.1002/batt.202300251

Henschel, S.; Dörner, P.-T.; Kößler, F.; Fleischer, J.
Mechanische Zelldemontage für das direkte Recycling [Mechanical battery cell disassembly for direct end-of-life battery recycling]
2023. wt Werkstattstechnik online, 113 (07-08), 278–281. doi:10.37544/1436-4980-2023-07-08-12

Müller, C.; Wang, Z.; Hofmann, A.; Stueble, P.; Liu-Théato, X.; Klemens, J.; Smith, A.
Influences on Reliable Capacity Measurements of Hard Carbon in Highly Loaded Electrodes
2023. Batteries & Supercaps, 6 (11), Art.Nr.: e202300322. doi:10.1002/batt.202300322

Sabi, N.; Palanisamy, K.; Rahide, F.; Daboss, S.; Kranz, C.; Dsoke, S.
Surface Properties‐Performance Relationship of Aluminum Foil as Negative Electrode for Rechargeable Aluminum Batteries
2023. Batteries & Supercaps, 6 (11), Art.Nr.: e202300298. doi:10.1002/batt.202300298

Madani, S. S.; Ziebert, C.; Marzband, M.
Thermal Behavior Modeling of Lithium-Ion Batteries: A Comprehensive Review
2023. Symmetry, 15 (8), Art.-Nr.: 1597. doi:10.3390/sym15081597

Elnagar, M. M.; Menezes, P. V.; Parada, W. A.; Mattausch, Y.; Kibler, L. A.; Mayrhofer, K. J. J.; Jacob, T.
Tailoring Cu Electrodes for Enhanced CO 2 Electroreduction through Plasma Electrolysis in Non‐Conventional Phosphorus‐Oxoanion‐Based Electrolytes
2023. ChemSusChem, 16 (23), e202300934. doi:10.1002/cssc.202300934

Glaser, C.; Wei, Z.; Indris, S.; Klement, P.; Chatterjee, S.; Ehrenberg, H.; Zhao-Karger, Z.; Rohnke, M.; Janek, J.
To be or not to be – Is MgSc2Se4 a Mg-Ion Solid Electrolyte?
2023. Advanced Energy Materials, Art.-Nr.: 2301980. doi:10.1002/aenm.202301980

Klemens, J.; Wurba, A.-K.; Burger, D.; Müller, M.; Bauer, W.; Büchele, S.; Leonet, O.; Blázquez, J. A.; Boyano, I.; Ayerbe, E.; Ehrenberg, H.; Fleischer, J.; Smith, A.; Scharfer, P.; Schabel, W.
Challenges and Opportunities for Large‐Scale Electrode Processing for Sodium‐Ion and Lithium‐Ion Battery
2023. Batteries & Supercaps, 6 (11), Art.Nr.: e202300291. doi:10.1002/batt.202300291

Wang, Y.; Lu, C.; Chen, J.; Cui, C.; Pan, Y.; Pfleging, W.; Sun, J.
Effects of self-healing biomimetic subsoiler on tillage resistance, wear-corrosion performance and soil disturbance morphology under different soil types
2023. International Journal of Agricultural and Biological Engineering, 16 (3), 7 – 14. doi:10.25165/j.ijabe.20231603.7876

Marinova, D.; Kalapsazova, M.; Zlatanova, Z.; Mereacre, L.; Zhecheva, E.; Stoyanova, R.
Lithium Manganese Sulfates as a New Class of Supercapattery Materials at Elevated Temperatures
2023. Materials, 16 (13), Art.Nr.: 4798. doi:10.3390/ma16134798

Neumann, M.; Wetterauer, S. E.; Osenberg, M.; Hilger, A.; Gräfensteiner, P.; Wagner, A.; Bohn, N.; Binder, J. R.; Manke, I.; Carraro, T.; Schmidt, V.
A data-driven modeling approach to quantify morphology effects on transport properties in nanostructured NMC particles
2023. International Journal of Solids and Structures, 280, Article no: 112394. doi:10.1016/j.ijsolstr.2023.112394

Ströbel, M.; Kiefer, L.; Pross-Brakhage, J.; Hemmerling, J.; Finster, P.; Ziebert, C.; Birke, K. P.
High Flashpoint and Eco-Friendly Electrolyte Solvent for Lithium-Ion Batteries
2023. Batteries, 9 (7), Art.-Nr.: 348. doi:10.3390/batteries9070348

Elkhafif, O. W.; Hassan, H. K.; Ceblin, M. U.; Farkas, A.; Jacob, T.
Influence of Residual Water Traces on the Electrochemical Performance of Hydrophobic Ionic Liquids for Magnesium‐Containing Electrolytes
2023. ChemSusChem, 16 (19), Art.-Nr.: e202300421. doi:10.1002/cssc.202300421

Ata, S.; Tabassum, A.; Shaheed, I.; ul Mohsin, I.; Alwadai, N.; Al Huwayz, M.; Iqbal, M.; Nazir, A.
Adsorption Thermodynamics, Modeling, and Kinetics Studies for the Removal of Lead Ions Using ZnO Nanorods
2023. Adsorption Science and Technology, 2023, Art.Nr.: 7740674. doi:10.1155/2023/7740674

Mondal, I.; Menezes, P. V.; Laun, K.; Diemant, T.; Al-Shakran, M.; Zebger, I.; Jacob, T.; Driess, M.; Menezes, P. W.
In-Liquid Plasma-Mediated Manganese Oxide Electrocatalysts for Quasi-Industrial Water Oxidation and Selective Dehydrogenation
2023. ACS Nano, 17 (14), 14043–14052. doi:10.1021/acsnano.3c04296

Fitzek, H.; Sterrer, M.; Knez, D.; Schranger, H.; Sarapulova, A.; Dsoke, S.; Schroettner, H.; Kothleitner, G.; Gollas, B.; Abbas, Q.
Impact of Iodine Electrodeposition on Nanoporous Carbon Electrode Determined by EQCM, XPS and In Situ Raman Spectroscopy
2023. Nanomaterials, 13 (9), 1545. doi:10.3390/nano13091545

Fu, Q.; Guo, B.; Hua, W.; Sarapulova, A.; Zhu, L.; Weidler, P. G. G.; Missyul, A.; Knapp, M.; Ehrenberg, H.; Dsoke, S.
Electrochemical Investigation of Calcium Substituted Monoclinic Li

_{3}

_{2}

(PO

_{4}

)

_{3}

Negative Electrode Materials for Sodium‐ and Potassium‐Ion Batteries
2023. Small, 19 (44), Art.-Nr.: 2304102. doi:10.1002/smll.202304102

Ohneseit, S.; Finster, P.; Floras, C.; Lubenau, N.; Uhlmann, N.; Seifert, H. J.; Ziebert, C.
Thermal and Mechanical Safety Assessment of Type 21700 Lithium-Ion Batteries with NMC, NCA and LFP Cathodes–Investigation of Cell Abuse by Means of Accelerating Rate Calorimetry (ARC)
2023. Batteries, 9 (5), Art.-Nr.: 237. doi:10.3390/batteries9050237

Benkada, A.; Hartmann, F.; Poschmann, M.; Indris, S.; Lühmann, H.; Bensch, W.
Directed Dehydration of Na

_{4}

_{2}

_{6}

⋅ 5H

_{2}

O Generates the New Compound Na

_{4}

_{2}

_{6}

: Crystal Structure and Selected Properties
2023. European Journal of Inorganic Chemistry, 26 (10), Art.-Nr.: e202200687. doi:10.1002/ejic.202200687

Osenberg, M.; Hilger, A.; Neumann, M.; Wagner, A.; Bohn, N.; Binder, J. R.; Schmidt, V.; Banhart, J.; Manke, I.
Classification of FIB/SEM-tomography images for highly porous multiphase materials using random forest classifiers
2023. Journal of Power Sources, 570, Art.-Nr.: 233030. doi:10.1016/j.jpowsour.2023.233030

Gordon, R.; Smith, A.
Towards more realistic Li-ion battery safety tests based on Li-plating as internal cell error
2023. Journal of Energy Storage, 72 (Part A), Art.-Nr.: 108200. doi:10.1016/j.est.2023.108200

Zwahr, C.; Serey, N.; Nitschke, L.; Bischoff, C.; Rädel, U.; Meyer, A.; Zhu, P.; Pfleging, W.
Targeting new ways for large-scale, high-speed surface functionalization using direct laser interference patterning in a roll-to-roll process
2023. International Journal of Extreme Manufacturing, 5 (3), Art.-Nr.: 035006. doi:10.1088/2631-7990/acd916

Sotoudeh, M.; Dillenz, M.; Döhn, J.; Hansen, J.; Dsoke, S.; Groß, A.
Oxide Spinels with Superior Mg Conductivity
2023. Chemistry of Materials, 35 (12), 4786–4797. doi:10.1021/acs.chemmater.3c00634

Stottmeister, D.; Groß, A.
Toward the Formation of the Solid Electrolyte Interphase on Alkaline Metal Anodes: Ab Initio Simulations
2023. Batteries & Supercaps, 6 (8), Art.-Nr.: e202300156. doi:10.1002/batt.202300156

Gandert, J. C.; Müller, M.; Paarmann, S.; Queisser, O.; Wetzel, T.
Effective Thermal Conductivity of Lithium‐Ion Battery Electrodes in Dependence on the Degree of Calendering
2023. Energy Technology, 11 (8), Art.-Nr.: 2300259. doi:10.1002/ente.202300259

Zhao, W.; Gebauer, J.; Bergfeldt, T.; Rohde, M.; Ziebert, C.; Du, Y.; Seifert, H. J.
Calorimetric Studies on Chemically Delithiated LiNi

_{0.4}

_{0.4}

_{0.2}

_{2}

: Investigation of Phase Transition, Gas Evolution and Enthalpy of Formation
2023. Batteries, 9 (5), Art.-Nr.: 275. doi:10.3390/batteries9050275

Klemens, J.; Schneider, L.; Burger, D.; Zimmerer, N.; Müller, M.; Bauer, W.; Ehrenberg, H.; Scharfer, P.; Schabel, W.
Process and Drying Behavior Toward Higher Drying Rates of Hard Carbon Anodes for Sodium‐Ion Batteries with Different Particle Sizes: An Experimental Study in Comparison to Graphite for Lithium‐Ion‐Batteries
2023. Energy Technology, 11 (8), Art.-Nr.: 2300338. doi:10.1002/ente.202300338

Klemens, J.; Burger, D.; Schneider, L.; Spiegel, S.; Müller, M.; Bohn, N.; Bauer, W.; Ehrenberg, H.; Scharfer, P.; Schabel, W.
Drying of Compact and Porous NCM Cathode Electrodes in Different Multilayer Architectures: Influence of Layer Configuration and Drying Rate on Electrode Properties
2023. Energy Technology, 11 (8), Art.Nr.: 2300267. doi:10.1002/ente.202300267

Gyulai, A.; Bauer, W.; Ehrenberg, H.
Dry Electrode Manufacturing in a Calender: The Role of Powder Premixing for Electrode Quality and Electrochemical Performance
2023. ACS Applied Energy Materials, 6 (10), 5122–5134. doi:10.1021/acsaem.2c03755

Kirchhoff, B.; Jónsson, E. Ö.; Jacob, T.; Jónsson, H.
On the Challenge of Obtaining an Accurate Solvation Energy Estimate in Simulations of Electrocatalysis
2023. Topics in Catalysis, 66, 1244–1259. doi:10.1007/s11244-023-01829-0

Braig, M.; Zeis, R.
Distribution of relaxation times analysis of electrochemical hydrogen pump impedance spectra
2023. Journal of Power Sources, 576, Art.-Nr.: 233203. doi:10.1016/j.jpowsour.2023.233203

Kirchhoff, B.; Jung, C.; Gaissmaier, D.; Braunwarth, L.; Fantauzzi, D.; Jacob, T.
In silico characterization of nanoparticles
2023. Physical Chemistry Chemical Physics, 25 (19), 13228–13243. doi:10.1039/D3CP01073B

Braig, M.; Deissler, N. H.; Lüdeking, I.; Regnet, F.; Bevilacqua, N.; Zeis, R.
FIB‐SEM and ToF‐SIMS Analysis of High‐Temperature PEM Fuel Cell Electrodes
2023. Advanced Materials Interfaces, 10 (13), Art.-Nr.: 2202430. doi:10.1002/admi.202202430

Zhu, P.; Trouillet, V.; Heißler, S.; Pfleging, W.
Laser structuring of high mass loaded and aqueous acid processed Li(Ni₀.₆Mn₀.₂Co₀.₂)O₂ cathodes for lithium-ion batteries
2023. Journal of Energy Storage, 66, 107401. doi:10.1016/j.est.2023.107401

Khudyshkina, A. D.; Butzelaar, A. J.; Guo, Y.; Hoffmann, M.; Bergfeldt, T.; Schaller, M.; Indris, S.; Wilhelm, M.; Théato, P.; Jeschull, F.
From lithium to potassium: Comparison of cations in poly(ethylene oxide)-based block copolymer electrolytes for solid-state alkali metal batteries
2023. Electrochimica Acta, 454, Article no: 142421. doi:10.1016/j.electacta.2023.142421

Mohsin, I. U.; Riedel, S.; Xiu, Y.; Zhao-Karger, Z.; Ziebert, C.
New insights into Self‐discharge and Heat Generation in Magnesium Batteries
2023. Batteries & Supercaps, 6 (7), Art.Nr.: e202300137. doi:10.1002/batt.202300137

Köble, K.; Jaugstetter, M.; Schilling, M.; Braig, M.; Diemant, T.; Tschulik, K.; Zeis, R.
Multimodal characterization of carbon electrodes’ thermal activation for vanadium redox flow batteries
2023. Journal of Power Sources, 569, Art.-Nr.: 233010. doi:10.1016/j.jpowsour.2023.233010

Rahide, F.; Zemlyanushin, E.; Bosch, G.-M.; Dsoke, S.
Open Challenges on Aluminum Triflate-Based Electrolytes for Aluminum Batteries
2023. Journal of The Electrochemical Society, 170 (3), Article no: 030546. doi:10.1149/1945-7111/acc762

Smith, A.; Stueble, P.; Leuthner, L.; Hofmann, A.; Jeschull, F.; Mereacre, L.
Potential and Limitations of Research Battery Cell Types for Electrochemical Data Acquisition
2023. Batteries & Supercaps, 6 (6), e202300080. doi:10.1002/batt.202300080

Hölderle, T.; Monchak, M.; Baran, V.; Dolotko, O.; Bette, S.; Mikhailova, D.; Voss, A.; Avdeev, M.; Ehrenberg, H.; Müller-Buschbaum, P.; Senyshyn, A.
The structural behavior of electrochemically delithiated Li

_{x}

_{0.8}

_{0.15}

_{0.05}

_{2}

(x<1) battery cathodes
2023. Journal of Power Sources, 564, Art.-Nr.: 232799. doi:10.1016/j.jpowsour.2023.232799

Surace, Y.; Jeschull, F.; Novák, P.; Trabesinger, S.
Performance-Determining Factors for Si–Graphite Electrode Evaluation: The Role of Mass Loading and Amount of Electrolyte Additive
2023. Journal of The Electrochemical Society, 170 (2), Art.-Nr.: 020510. doi:10.1149/1945-7111/acb854

Im, C.; Kirchhoff, B.; Krivtsov, I.; Mitoraj, D.; Beranek, R.; Jacob, T.
Structure and Optical Properties of Polymeric Carbon Nitrides from Atomistic Simulations
2023. Chemistry of Materials, 35 (4), 1547–1559. doi:10.1021/acs.chemmater.2c02843

Fu, Q.; Schwarz, B.; Ding, Z.; Sarapulova, A.; Weidler, P. G.; Missyul, A.; Etter, M.; Welter, E.; Hua, W.; Knapp, M.; Dsoke, S.; Ehrenberg, H.
Guest Ion-Dependent Reaction Mechanisms of New Pseudocapacitive Mg

_{3}

_{4}

(PO

_{4}

)

_{6}

/Carbon Composite as Negative Electrode for Monovalent-Ion Batteries
2023. Advanced Science, 10 (11), Art.-Nr.: 2207283. doi:10.1002/advs.202207283

Ata, S.; Shaheen, I.; Aslam, H.; Mohsin, I. U.; Alwadai, N.; Huwayz, M. A.; Iqbal, M.; Younas, U.
Barium and strontium doped La-based perovskite synthesis via sol-gel route and photocatalytic activity evaluation for methylene blue
2023. Results in Physics, 45, Art.-Nr.: 106235. doi:10.1016/j.rinp.2023.106235

Mohsin, I. U.; Schneider, L.; Yu, Z.; Cai, W.; Ziebert, C.
Enabling the Electrochemical Performance of Maricite-NaMnPO4 and Maricite-NaFePO4 Cathode Materials in Sodium-Ion Batteries
2023. (A. Arunachalam, Ed.) International Journal of Electrochemistry, 2023, Artlk. ID.: 6054452. doi:10.1155/2023/6054452

Fiesinger, F.; Gaissmaier, D.; van den Borg, M.; Beßner, J.; van Duin, A. C. T.; Jacob, T.
Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium‐Ion Batteries
2023. ChemSusChem, 16 (3), Art.-Nr.: e202201821. doi:10.1002/cssc.202201821

Bord, J.; Kirchhoff, B.; Baldofski, M.; Jung, C.; Jacob, T.
An Atomistic View of Platinum Cluster Growth on Pristine and Defective Graphene Supports
2023. Small, 19 (10). doi:10.1002/smll.202207484

Ata, S.; Bano, S.; Bibi, I.; Alwadai, N.; Mohsin, I. ul; Al Huwayz, M.; Iqbal, M.; Nazir, A.
Cationic distributions and dielectric properties of magnesium ferrites fabricated by sol-gel route and photocatalytic activity evaluation
2023. Zeitschrift für Physikalische Chemie, 237 (1-2), 67–86. doi:10.1515/zpch-2022-0086

Kollenda, A.; Husseini, K.; Henschel, S.; Schmidgruber, N.; Becker-Koch, D.; Braunwarth, W.; Fleischer, J.; Daub, R.
Quality assurance for flexible stack assembly of lithium‐ion cells
2023. Energy Technology, 11 (5), Art.-Nr.: 2201059. doi:10.1002/ente.202201059

Braunwarth, L.; Jung, C.; Jacob, T.
Potential‐Dependent Pt(111)/Water Interface: Tackling the Challenge of a Consistent Treatment of Electrochemical Interfaces**
2023. ChemPhysChem, 24 (1), Art.-Nr.: e202200336. doi:10.1002/cphc.202200336

Madani, S. S.; Ziebert, C.
Calorimetric Methods and Thermal Management of Lithium-ion batteries: A mini-review
2023. Journal of physics / Conference series, 2454, Art.-Nr.: 012006. doi:10.1088/1742-6596/2454/1/012006

Uhl, M.; Geng, T.; Schuster, P. A.; Schick, B. W.; Kruck, M.; Fuoss, A.; Kuehne, A. J. C.; Jacob, T.
Combining Deep Eutectic Solvents with TEMPO‐based Polymer Electrodes: Influence of Molar Ratio on Electrode Performance
2023. Angewandte Chemie - International Edition, 62 (2), Art.-Nr.: e202214927. doi:10.1002/anie.202214927

Benkada, A.; Hartmann, F.; A. Engesser, T.; Indris, S.; Zinkevich, T.; Näther, C.; Lühmann, H.; Reinsch, H.; Adams, S.; Bensch, W.
Room‐Temperature Solid‐State Transformation of Na

_{4}

SnS

_{4}

⋅ 14H

_{2}

O into Na

_{4}

_{2}

_{6}

⋅ 5H

_{2}

O: An Unusual Epitaxial Reaction Including Bond Formation, Mass Transport, and Ionic Conductivity
2023. Chemistry – A European Journal, 29 (1), e202202318. doi:10.1002/chem.202202318

Conference Papers

Sterzl, Y.; Pfleging, W.
Extending the 3D-battery concept: large areal ultrashort pulsed laser structuring of multilayered electrode coatings
2023. Laser-based Micro- and Nanoprocessing XVII, Art.-Nr.: 124090O, SPIE. doi:10.1117/12.2650288

Rist, U.; Ball, F.; Pfleging, W.
3D printing of anode architectures for customized lithium-ion batteries
2023. Laser-based Micro- and Nanoprocessing XVII, San Francisco, CA, January 31 - February 2, 2023. Ed.: R. Kling, Article no: 124090N, Society of Photo-optical Instrumentation Engineers (SPIE). doi:10.1117/12.2650281

Zhu, P.; Smyrek, P.; Ebert, B.; Pfleging, W.
Laser patterning and electrochemical characterization of thick-film cathodes for lithium-ion batteries
2023. Laser-based Micro- and Nanoprocessing XVII, San Francisco, CA, January 31 - February 2, 2023. Ed.: R. Kling, Article no: 124090K, Society of Photo-optical Instrumentation Engineers (SPIE). doi:10.1117/12.2648881

Pfleging, W.; Meyer, A. P.; Rist, U.; Smyrek, P.; Sterzl, Y.; Zheng, Y.; Zhu, P.
Laser structuring and functionalization of nanoscaled battery materials
2023. Nanoscale and Quantum Materials: From Synthesis and Laser Processing to Applications 2023, San Francisco, CA, January 28-29, 2023. Ed.: A.V. Kabashin, Article no: 1241002, Society of Photo-optical Instrumentation Engineers (SPIE). doi:10.1117/12.2654944

Meyer, A. P.; Sterzl, Y.; Rädel, U.; Xiao, S.; Zenz, M.; Schwab, D.; Pfleging, W.
Laser structuring of electrodes in roll-to-roll environment using multi-beam processing: process upscaling and its perspective
2023. Laser-based Micro- and Nanoprocessing XVII 2023. Ed.: R. Kling, Article no: 124090J, Society of Photo-optical Instrumentation Engineers (SPIE). doi:10.1117/12.2651089

Madani, S. S.; Ziebert, C.
A model-based approach for temperature estimation of a lithium-ion battery pack
2023. Proceedings of 2022 Asian Power and Electrical Technology Conference, Shanghai, China, 11th November - 13th November 2022, 357–360, IEEEXplore. doi:10.1109/APET56294.2022.10072755

Madani, S. S.; Ziebert, C.; Andalibi, M.; Hajihosseini, M.; Naseri, F.
A Model-Based Approach for Voltage and State-of- Charge Estimation of Lithium-ion Batteries
2023. Proceedings 2022 IEEE Sustainable Power and Energy Conference (iSPEC), Ehsan Pashajavid, Dowon Kim, Sumedha Rajakaruna, Ahmed Abu-Siada, 1–5, IEEEXplore. doi:10.1109/iSPEC54162.2022.10032998

2022

Journal Articles

Herrmann, L.; Ehrenberg, H.; Graczyk-Zajac, M.; Kaymakci, E.; Kölbel, T.; Kölbel, L.; Tübke, J.
Lithium recovery from geothermal brine – an investigation into the desorption of lithium ions using manganese oxide adsorbents
2022. Energy Advances, 1 (11), 877–885. doi:10.1039/D2YA00099G

Shen, H.; Chen, K.; Kou, J.; Jia, Z.; Tamura, N.; Hua, W.; Tang, W.; Ehrenberg, H.; Doeff, M.
Spatiotemporal mapping of microscopic strains and defects to reveal Li-dendrite-induced failure in all-solid-state batteries
2022. Materials Today, 57, 180–191. doi:10.1016/j.mattod.2022.06.005

Forster-Tonigold, K.; Buchner, F.; Bansmann, J.; Behm, R. J.; Groß, A.
A Combined XPS and Computational Study of the Chemical Reduction of BMP‐TFSI by Lithium
2022. Batteries & Supercaps, 5 (12), Art.-Nr. e202200483. doi:10.1002/batt.202200483

Mayer, D.; Schwab, B.; Fleischer, J.
Influence of electrode corrugation after calendering on the geometry of single electrode sheets in battery cell production
2022. Energy Technology, 11 (5), Art.-Nr.: 2200870. doi:10.1002/ente.202200870

Traskunov, I.; Latz, A.
Novel local fluctuation-preserving upscaling techniques for heterogeneous reaction-transport equation in porous media
2022. Electrochimica Acta, 434, Art.-Nr.: 141248. doi:10.1016/j.electacta.2022.141248

Huang, J.; Climent, V.; Groß, A.; Feliu, J. M.
Understanding surface charge effects in electrocatalysis. Part 2: Hydrogen peroxide reactions at platinum
2022. Chinese Journal of Catalysis, 43 (11), 2837–2849. doi:10.1016/S1872-2067(22)64138-X

Lautenschlaeger, M. P.; Weinmiller, J.; Kellers, B.; Danner, T.; Latz, A.
Homogenized lattice Boltzmann model for simulating multi-phase flows in heterogeneous porous media
2022. Advances in Water Resources, 170, Art.-Nr.: 104320. doi:10.1016/j.advwatres.2022.104320

Madani, S. S.; Schaltz, E.; Kær, S. K.; Ziebert, C.
A comprehensive heat generation study of lithium titanate oxide-based lithium-ion batteries
2022. Journal of Physics: Conference Series, 2382 (1), Art.-Nr.: 012004. doi:10.1088/1742-6596/2382/1/012004

Mereacre, V.; Stüble, P.; Trouillet, V.; Ahmed, S.; Volz, K.; Binder, J. R.
Coating versus Doping: Understanding the Enhanced Performance of High‐Voltage Batteries by the Coating of Spinel LiNi

_{0.5}

_{1.5}

_{4}

with Li

_{0.35}

_{0.55}

TiO

_{3}

2022. Advanced Materials Interfaces, 10 (2), Art.-Nr.: 2201324. doi:10.1002/admi.202201324

Kang, S.; Im, C.; Spanos, I.; Ham, K.; Lim, A.; Jacob, T.; Schlögl, R.; Lee, J.
Durable Nickel‐Iron (Oxy)hydroxide Oxygen Evolution Electrocatalysts through Surface Functionalization with Tetraphenylporphyrin
2022. Angewandte Chemie - International Edition, 61 (51), Art.-Nr.: e202214541. doi:10.1002/anie.202214541

Kößler, F.; Mayer, D.; Fleischer, J.
Agile Produktionssysteme in der Batteriezellfertigung
2022. wt Werkstattstechnik online, 112 (44780), 492–495. doi:10.37544/1436-4980-2022-07-08-46

Bock, E.; Pfleging, W.; Tada, D.; Macedo, E.; Premazzi, N.; Sá, R.; Solheid, J.; Besser, H.; Andrade, A.
Laser-Treated Surfaces for VADs: From Inert Titanium to Potential Biofunctional Materials
2022. BME frontiers, 2022, Art.-Nr.: 9782562. doi:10.34133/2022/9782562

Tran, M. X.; Smyrek, P.; Park, J.; Pfleging, W.; Lee, J. K.
Ultrafast-Laser Micro-Structuring of LiNi

_{0.8}

_{0.1}

_{0.1}

_{2}

Cathode for High-Rate Capability of Three-Dimensional Li-ion Batteries
2022. Nanomaterials, 12 (21), Art.-Nr.: 3897. doi:10.3390/nano12213897

Ventura Silva, G.; Thomitzek, M.; Lippke, M.; Heckmann, T.; Karaki, H.; Lischka, C.; Möhlen, F.; Mayer, D.; Hagemeister, J.; Daub, R.; Fleischer, J.; Nirschl, H.; Schröder, D.; Scharfer, P.; Schabel, W.; Kwade, A.; Herrmann, C.
Digitalization Platform for Sustainable Battery Cell Production: Coupling of Process, Production, and Product Models
2022. Energy Technology, 11 (5), Art.-Nr.: 2200801. doi:10.1002/ente.202200801

Li, X.; Wang, Y.; Xi, K.; Yu, W.; Feng, J.; Gao, G.; Wu, H.; Jiang, Q.; Abdelkader, A.; Hua, W.; Zhong, G.; Ding, S.
Quasi-Solid-State Ion-Conducting Arrays Composite Electrolytes with Fast Ion Transport Vertical-Aligned Interfaces for All-Weather Practical Lithium-Metal Batteries
2022. Nano-Micro Letters, 14, Art.-Nr.: 210. doi:10.1007/s40820-022-00952-z

Schmidgruber, N.; Mayer, D.; Fleischer, J.
Hochproduktive, hydraulische Batteriezellfertigung : Konzept zur hochproduktiven Fertigung von Lithium-Ionen-Batterien durch hydraulische Pressen [Highly productive, hydraulic batterycell manufacturing - Plan for the highly productive manufacturing of lithiumion batteries using a hydraulic press]
2022. wt Werkstattstechnik online, 112 (09), 586–590. doi:10.37544/1436-4980-2022-09-58

Murugesan, C.; Senthilkumar, B.; Barpanda, P.
Biowaste-Derived Highly Porous N-Doped Carbon as a Low-Cost Bifunctional Electrocatalyst for Hybrid Sodium–Air Batteries
2022. ACS Sustainable Chemistry & Engineering, 10 (28), 9077–9086. doi:10.1021/acssuschemeng.2c01300

Schneider, L.; Klemens, J.; Herbst, E. C.; Müller, M.; Scharfer, P.; Schabel, W.; Bauer, W.; Ehrenberg, H.
Transport Properties in Electrodes for Lithium-Ion Batteries: Comparison of Compact versus Porous NCM Particles
2022. Journal of The Electrochemical Society, 169 (10), Art.-Nr.: 100553. doi:10.1149/1945-7111/ac9c37

Feinauer, M.; Uhlmann, N.; Ziebert, C.; Blank, T.
Simulation, Set-Up, and Thermal Characterization of a Water-Cooled Li-Ion Battery System
2022. Batteries, 8 (10), Art.-Nr.: 177. doi:10.3390/batteries8100177

Husseini, K.; Schmidgruber, N.; Henschel, S.; Mayer, D.; Fleischer, J.
Model‐Based Optimization of Web Tension Control for the Flexible Cell Stack Assembly of Lithium‐Ion Battery Cells
2022. Energy Technology, 11 (5), Art.-Nr.: 2200679. doi:10.1002/ente.202200679

Forster-Tonigold, K.; Buchner, F.; Bansmann, J.; Behm, R. J.; Groß, A.
A Combined XPS and Computational Study of the Chemical Reduction of BMP‐TFSI by Lithium
2022. Batteries and Supercaps, 5 (12), Art.Nr. e202200307. doi:10.1002/batt.202200307

Gauckler, C.; Dillenz, M.; Maroni, F.; Pfeiffer, L. F.; Biskupek, J.; Sotoudeh, M.; Fu, Q.; Kaiser, U.; Dsoke, S.; Euchner, H.; Axmann, P.; Wohlfahrt-Mehrens, M.; Groß, A.; Marinaro, M.
Detailed Structural and Electrochemical Comparison between High Potential Layered P2-NaMnNi and Doped P2-NaMnNiMg Oxides
2022. ACS Applied Energy Materials, 5 (11), 13735–13750. doi:10.1021/acsaem.2c02402

Schabel, S.; Fleischer, J.
Scherschneiden von Elektroden für Li-Ionen-Zellen : Untersuchung der anlagenseitigen Prozessparameter und Bewertung der Schnittkantenqualität [Investigation of the plant-side process parameters and evaluation of the cutting edge quality – Shear-cutting of Electrodes for Li-Ion-Cells]
2022. WT Werkstattstechnik, 112 (7-8), 487–491. doi:10.37544/1436-4980-2022-07-08-41

Gu, D.; Yuan, Y.; Liu, J.; Li, D.; Zhang, W.; Wu, L.; Cao, F.; Wang, J.; Huang, G.; Pan, F.
The electrochemical properties of bismuth-antimony-tin alloy anodes for magnesium ion batteries
2022. Journal of Power Sources, 548, Art.Nr. 232076. doi:10.1016/j.jpowsour.2022.232076

Aziam, H.; Larhrib, B.; Hakim, C.; Sabi, N.; Ben Youcef, H.; Saadoune, I.
Solid-state electrolytes for beyond lithium-ion batteries: A review
2022. Renewable and Sustainable Energy Reviews, 167, Art.-Nr.: 112694. doi:10.1016/j.rser.2022.112694

von Kolzenberg, L.; Stadler, J.; Fath, J.; Ecker, M.; Horstmann, B.; Latz, A.
A four parameter model for the solid-electrolyte interphase to predict battery aging during operation
2022. Journal of Power Sources, 539, Art.-Nr.: 231560. doi:10.1016/j.jpowsour.2022.231560

Hartmann, F.; Benkada, A.; Indris, S.; Poschmann, M.; Lühmann, H.; Duchstein, P.; Zahn, D.; Bensch, W.
Directed Dehydration as Synthetic Tool for Generation of a New Na

_{4}

SnS

_{4}

Polymorph: Crystal Structure, Na

^{+}

Conductivity, and Influence of Sb‐Substitution
2022. Angewandte Chemie International Edition, 61 (36), e202202182. doi:10.1002/anie.202202182

Heubach, M.-K.; Schuett, F. M.; Kibler, L. A.; Abdelrahman, A.; Jacob, T.
Initial Stages of Sodium Deposition onto Au(111) from [MPPip][TFSI]: An In‐Situ STM Study for Sodium‐Ion Battery Electrolytes
2022. ChemElectroChem, 9 (20), Art.Nr.: e202200722. doi:10.1002/celc.202200722

Hausmann, J. N.; Menezes, P. V.; Vijaykumar, G.; Laun, K.; Diemant, T.; Zebger, I.; Jacob, T.; Driess, M.; Menezes, P. W.
In‐Liquid Plasma Modified Nickel Foam: NiOOH/NiFeOOH Active Site Multiplication for Electrocatalytic Alcohol, Aldehyde, and Water Oxidation
2022. Advanced Energy Materials, 12 (38), Art.-Nr.: 2202098. doi:10.1002/aenm.202202098

Schilling, M.; Braig, M.; Köble, K.; Zeis, R.
Investigating the V(IV)/V(V) electrode reaction in a vanadium redox flow battery – A distribution of relaxation times analysis
2022. Electrochimica Acta, 430, Art.-Nr.: 141058. doi:10.1016/j.electacta.2022.141058

Geng, T.; Schick, B. W.; Uhl, M.; Kuehne, A. J. C.; Kibler, L. A.; Ceblin, M. U.; Jacob, T.
Influence of Chloride and Nitrate Anions on Copper Electrodeposition onto Au(111) from Deep Eutectic Solvents
2022. ChemElectroChem, 9 (19), Art.Nr. e202101263. doi:10.1002/celc.202101263

Juarez, F.; Yin, H.; Groß, A.
Composition and Electronic Structure of Mn

_{3}

_{4}

and Co

_{3}

_{4}

Cathodes in Zinc–Air Batteries: A DFT Study
2022. The Journal of Physical Chemistry C, 126 (5), 2561–2572. doi:10.1021/acs.jpcc.1c09963

Mereacre, V.; Binder, J. R.
Strong-Acid-Catalyzed Formation of Crystalline LiNbO

_{3}

at Low Ambient Temperatures
2022. Inorganic Chemistry, 61 (19), 7222–7225. doi:10.1021/acs.inorgchem.2c00457

Pastorio, C.; Zech, F.; Noettger, S.; Jung, C.; Jacob, T.; Sanderson, T.; Sparrer, K. M. J.; Kirchhoff, F.
Determinants of Spike infectivity, processing, and neutralization in SARS-CoV-2 Omicron subvariants BA.1 and BA.2
2022. Cell Host and Microbe, 30 (9), 1255–1268. doi:10.1016/j.chom.2022.07.006

Hassan, H. K.; Farkas, A.; Varzi, A.; Jacob, T.
Mixed Metal‐Organic Frameworks as Efficient Semi‐Solid Electrolytes for Magnesium‐Ion Batteries
2022. Batteries and Supercaps, 5 (10), Art.Nr. e202200260. doi:10.1002/batt.202200260

Mohsin, I. U.; Schneider, L.; Häringer, M.; Ziebert, C.; Rohde, M.; Bauer, W.; Ehrenberg, H.; Seifert, H. J.
Heat generation and degradation mechanisms studied on Na₃V₂(PO₄)₃/C positive electrode material in full pouch / coin cell assembly
2022. Journal of Power Sources, 545, Art.-Nr.: 231901. doi:10.1016/j.jpowsour.2022.231901

Schrade, S.; Zhao, Z.; Supiyeva, Z.; Chen, X.; Dsoke, S.; Abbas, Q.
An asymmetric MnO

_{2}

|activated carbon supercapacitor with highly soluble choline nitrate-based aqueous electrolyte for sub-zero temperatures
2022. Electrochimica Acta, 425, 140708. doi:10.1016/j.electacta.2022.140708

Xu, C.; Zhao, J.; Wang, Y.-A.; Hua, W.; fu, Q.; Liang, X.; Rong, X.; Zhang, Q.; Guo, X.; Yang, C.; Liu, H.; Zhong, B.; Hu, Y.-S.
Reversible Activation of V

^{4 +}

^{5 +}

Redox Couples in NASICON Phosphate Cathodes
2022. Advanced Energy Materials, 12 (25), Art.Nr. 2200966. doi:10.1002/aenm.202200966

Marinaro, M.; Dsoke, S.
Advances in Nanomaterials for Lithium-Ion/Post-Lithium-Ion Batteries and Supercapacitors
2022. Nanomaterials, 12 (15), Art.Nr. 2512. doi:10.3390/nano12152512

Stockhausen, R.; Gehrlein, L.; Müller, M.; Bergfeldt, T.; Hofmann, A.; Müller, F. J.; Maibach, J.; Ehrenberg, H.; Smith, A.
Investigating the dominant decomposition mechanisms in lithium-ion battery cells responsible for capacity loss in different stages of electrochemical aging
2022. Journal of Power Sources, 543, Article no: 231842. doi:10.1016/j.jpowsour.2022.231842

Zhang, S.; Wang, J.; Sun, L.; Dang, F.; Du, Y.; Seifert, H. J.; Lei, T.
Revealing the role of Mn/Li disordered mixing in Li-rich cathode Li

_{2}

MnO

_{3}

by first-principles calculations
2022. Physical Review Materials, 6 (5), Art.-Nr.: 055404. doi:10.1103/PhysRevMaterials.6.055404

Sakong, S.; Huang, J.; Eikerling, M.; Groß, A.
The structure of the electric double layer: Atomistic versus continuum approaches
2022. Current Opinion in Electrochemistry, 33, Art.Nr. 100953. doi:10.1016/j.coelec.2022.100953

Kolzenberg, L. von; Werres, M.; Tetzloff, J.; Horstmann, B.
Transition between growth of dense and porous films: theory of dual-layer SEI
2022. Physical Chemistry Chemical Physics, 24 (31), 18469–18476. doi:10.1039/d2cp00188h

Schammer, M.; Latz, A.; Horstmann, B.
The Role of Energy Scales for the Structure of Ionic Liquids at Electrified Interfaces: A Theory-Based Approach
2022. The journal of physical chemistry <Washington, DC> / B, 126 (14), 2761–2776. doi:10.1021/acs.jpcb.2c00215

Bothe, A.; Gehrlein, L.; Fu, Q.; Li, C.; Maibach, J.; Dsoke, S.; Balducci, A.
Glyoxal‐Based Electrolytes in Combination with Fe

_{2}

_{3}

@C‐Based Electrodes for Lithium‐Ion Batteries
2022. Batteries & Supercaps, 5 (8), Art.Nr.: e20220015. doi:10.1002/batt.202200152

Chiou, M.-H.; Borzutzki, K.; Thienenkamp, J. H.; Mohrhardt, M.; Liu, K.-L.; Mereacre, V.; Binder, J. R.; Ehrenberg, H.; Winter, M.; Brunklaus, G.
Durable fast-charging lithium metal batteries designed with cross-linked polymer electrolytes and niobate-coated cathode
2022. Journal of Power Sources, 538, Art.Nr. 231528. doi:10.1016/j.jpowsour.2022.231528

Sarkezi-Selsky, P.; Schmies, H.; Kube, A.; Latz, A.; Jahnke, T.
Lattice Boltzmann simulation of liquid water transport in gas diffusion layers of proton exchange membrane fuel cells: Parametric studies on capillary hysteresis
2022. Journal of Power Sources, 535, Art.Nr. 231381. doi:10.1016/j.jpowsour.2022.231381

Mancera, L. A.; Diemant, T.; Groß, A.; Behm, R. J.
Molecular and Dissociative Hydrogen Adsorption on Bimetallic PdAg/Pd(111) Surface Alloys: A Combined Experimental and Theoretical Study
2022. The Journal of Physical Chemistry C, 126 (6), 3060–3077. doi:10.1021/acs.jpcc.1c10070

Madani, S. S.; Soghrati, R.; Ziebert, C.
A Regression-Based Technique for Capacity Estimation of Lithium-Ion Batteries
2022. Batteries, 8 (4), Art.-Nr.: 31. doi:10.3390/batteries8040031

Helmbrecht, K.; Euchner, H.; Groß, A.
Revisiting the Chevrel Phase: Impact of Dispersion Corrections on the Properties of Mo6S8 for Cathode Applications**
2022. Batteries & Supercaps, 5 (8), Art.Nr. e202200002. doi:10.1002/batt.202200002

Strauss, F.; Lin, J.; Duffiet, M.; Wang, K.; Zinkevich, T.; Hansen, A.-L.; Indris, S.; Brezesinski, T.
High-Entropy Polyanionic Lithium Superionic Conductors
2022. ACS Materials Letters, 4 (2), 418–423. doi:10.1021/acsmaterialslett.1c00817

Gul, N.; Ata, S.; Bibi, I.; Ijaz-ul-Mohsin; Azam, M.; Shahid, A.; Alwadai, N.; Masood, N.; Iqbal, M.
Size controlled synthesis of silver nanoparticles: a comparison of modified Turkevich and BRUST methods
2022. Zeitschrift für Physikalische Chemie, 236 (9), 1173–1189. doi:10.1515/zpch-2022-0009

Schweighofer, L.; Eschelmüller, B.; Fröhlich, K.; Pfleging, W.; Pichler, F.
Modelling and Optimisation of Laser-Structured Battery Electrodes
2022. Nanomaterials, 12 (9), 1574. doi:10.3390/nano12091574

Groß, A.
Reversible vs Standard Hydrogen Electrode Scale in Interfacial Electrochemistry from a Theoretician’s Atomistic Point of View
2022. The Journal of Physical Chemistry C, 126 (28), 11439–11446. doi:10.1021/acs.jpcc.2c02734

Zeller, S. J.; Geng, T.; Ceblin, M. U.; Uhl, M.; Kuehne, A. J. C.; Kibler, L. A.; Jacob, T.
An Interfacial Study of Au(111) Electrodes in Deep Eutectic Solvents
2022. ChemElectroChem, 9 (14), Art.Nr. e202200352. doi:10.1002/celc.202200352

Xiao, L.; Bian, M.; Zhu, L.; Duan, K.; Leng, W.; Zeis, R.; Sui, P.-C.; Zhang, H.
High-density and low-density gas diffusion layers for proton exchange membrane fuel cells: Comparison of mechanical and transport properties
2022. International Journal of Hydrogen Energy, 47 (53), 22532–22544. doi:10.1016/j.ijhydene.2022.05.092

Fiesinger, F.; Gaissmaier, D.; Borg, M.; Jacob, T.
First‐Principles Studies on the Atomistic Properties of Metallic Magnesium as Anode Material in Magnesium‐Ion Batteries
2022. ChemSusChem, 15 (14), Art.Nr. e202200414. doi:10.1002/cssc.202200414

Solheid, J. S.; Elkaseer, A.; Wunsch, T.; Scholz, S.; Seifert, H. J.; Pfleging, W.
Multiobjective Optimization of Laser Polishing of Additively Manufactured Ti-6Al-4V Parts for Minimum Surface Roughness and Heat-Affected Zone
2022. Materials, 15 (9), Art.Nr. 3323. doi:10.3390/ma15093323

Surendran, A.; Enale, H.; Thottungal, A.; Sarapulova, A.; Knapp, M.; Nishanthi, S. T.; Dixon, D.; Bhaskar, A.
Unveiling the Electrochemical Mechanism of High-Capacity Negative Electrode Model-System BiFeO 3 in Sodium-Ion Batteries: An In Operando XAS Investigation
2022. ACS Applied Materials & Interfaces, 14 (6), 7856–7868. doi:10.1021/acsami.1c20717

Rehnlund, D.; Wang, Z.; Nyholm, L.
Lithium‐Diffusion Induced Capacity Losses in Lithium‐Based Batteries
2022. Advanced Materials, 34 (19), Art. Nr.: 2108827. doi:10.1002/adma.202108827

Lautenschlaeger, M. P.; Prifling, B.; Kellers, B.; Weinmiller, J.; Danner, T.; Schmidt, V.; Latz, A.
Understanding Electrolyte Filling of Lithium‐Ion Battery Electrodes on the Pore Scale Using the Lattice Boltzmann Method
2022. Batteries & Supercaps, 5 (7), Art.Nr. e202200090. doi:10.1002/batt.202200090

Xiao, L.; Yin, Z.; Bian, M.; Bevilacqua, N.; Zeis, R.; Yuan, J.; Sui, P.-C.
Microstructure reconstruction using fiber tracking technique and pore-scale simulations of heterogeneous gas diffusion layer
2022. International Journal of Hydrogen Energy, 47 (46), 20218–20231. doi:10.1016/j.ijhydene.2022.04.143

Xiao, L.; Zhu, L.; Clökler, C.; Grünzweig, A.; Wilhelm, F.; Scholta, J.; Zeis, R.; Shen, Z.-G.; Luo, M.; Sui, P.-C.
Experimental validation of pore-scale models for gas diffusion layers
2022. Journal of Power Sources, 536, Art.-Nr.: 231515. doi:10.1016/j.jpowsour.2022.231515

Lei, Y.; Wu, C.; Lu, X.; Hua, W.; Li, S.; Liang, Y.; Liu, H.; Lai, W.-H.; Gu, Q.; Cai, X.; Wang, N.; Wang, Y.-X.; Chou, S.-L.; Liu, H.-K.; Wang, G.; Dou, S.-X.
Streamline Sulfur Redox Reactions to Achieve Efficient Room‐Temperature Sodium–Sulfur Batteries
2022. Angewandte Chemie International Edition, 61 (16), Art.-Nr.: e202200384. doi:10.1002/anie.202200384

Wegener, J.; Ho, L. C. X.; Glavas, V.; Mueller, J. E.; Höhn, S.; Clausner, A.; Latz, A.
Direct measurement of gaussian distributed radial crystallographic orientations of polycrystalline, layered-oxide secondary particles and their impact on materials utilization in battery cathodes
2022. Energy Storage Materials, 45, 399–411. doi:10.1016/j.ensm.2021.11.025

Kulesza, P. J.; Nobili, F.; Dsoke, S.; Di Noto, V.; Rutkowska, I. A.
Correction to: Foreword to the memorial issue for Professor Roberto Marassi
2022. Journal of Solid State Electrochemistry, 26 (2), Art.-Nr.: 587. doi:10.1007/s10008-021-05114-6

Ding, A.; Han, B.; Zhang, S.; Huang, Q.; Wang, J.; Wei, C.; Du, Y.; Seifert, H. J.
Ab initio molecular dynamics study on the disordered Li–Ga–Sn system
2022. Physical Chemistry Chemical Physics, 24 (17), 10537–10547. doi:10.1039/d2cp00618a

Kirchhoff, B.; Jung, C.; Jónsson, H.; Fantauzzi, D.; Jacob, T.
Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes
2022. The Journal of Physical Chemistry C, 126 (15), 6773–6781. doi:10.1021/acs.jpcc.2c00472

Zhao, Z.; Darma, M. S. D.; Tian, G.; Luo, X.; Zhao, E.; Wang, B.-T.; Zhao, J.; Hua, W.; Zhao, X.; Wang, Y.; Ehrenberg, H.; Dsoke, S.
Study on Na₂V₀

_{.}

₆₇Mn₀

_{.}

₃₃Ti(PO₄)₃ electrodes with ultralow voltage hysteresis for high performance sodium-ion batteries
2022. Chemical Engineering Journal, 444, Article no: 136608. doi:10.1016/j.cej.2022.136608

Nassiri, A.; Sabi, N.; Sarapulova, A.; Wei, Y.; Manoun, B.; Indris, S.; Missyul, A.; Ehrenberg, H.; Saadoune, I.
Elucidation of the sodiation/desodiation mechanism in Ca

_{0.5}

_{2}

(PO

_{4}

)

_{3}

/C as promising electrode for sodium batteries: New insights into the phase transitions
2022. Journal of Energy Chemistry, 70, 36–44. doi:10.1016/j.jechem.2022.01.036

Khudyshkina, A. D.; Morozova, P. A.; Butzelaar, A. J.; Hoffmann, M.; Wilhelm, M.; Theato, P.; Fedotov, S. S.; Jeschull, F.
Poly(ethylene oxide)-Based Electrolytes for Solid-State Potassium Metal Batteries with a Prussian Blue Positive Electrode
2022. ACS Applied Polymer Materials, 4 (4), 2734–2746. doi:10.1021/acsapm.2c00014

Liang, H.-P.; Chen, Z.; Dong, X.; Zinkevich, T.; Indris, S.; Passerini, S.; Bresser, D.
Photo‐Cross‐Linked Single‐Ion Conducting Polymer Electrolyte for Lithium‐Metal Batteries
2022. Macromolecular rapid communications, 43 (12), Art.-Nr.: 2100820. doi:10.1002/marc.202100820

Zhao, W.; Rohde, M.; Mohsin, I. U.; Ziebert, C.; Du, Y.; Seifert, H. J.
Combined Thermal Runaway Investigation of Coin Cells with an Accelerating Rate Calorimeter and a Tian-Calvet Calorimeter
2022. Batteries, 8 (2). doi:10.3390/batteries8020015

Geng, T.; Zeller, S. J.; Kibler, L. A.; Ceblin, M. U.; Jacob, T.
Electrodeposition of Cu onto Au(111) from Deep Eutectic Solvents: Molar Ratio of Salt and Hydrogen Bond Donor
2022. ChemElectroChem, 9 (7), e202101283. doi:10.1002/celc.202101283

Wei, S.; Liu, J.; Xia, Y.; Zhang, H.; Cheng, R.; Sun, L.; Xu, F.; Bu, Y.; Liu, Z.; Huang, P.; Zhang, K.; Rosei, F.; Pimerzin, A. A.; Seifert, H. J.
Enhanced Hydrogen Storage Properties of LiAlH

_{4}

by Excellent Catalytic Activity of XTiO

_{3}

@h‐BN (X = Co, Ni)
2022. Advanced functional materials, 32 (13), Art.-Nr.: 2110180. doi:10.1002/adfm.202110180

Allgayer, F.; Maibach, J.; Jeschull, F.
Comparing the Solid Electrolyte Interphases on Graphite Electrodes in K and Li Half Cells
2022. ACS applied energy materials, 5 (1), 1136–1148. doi:10.1021/acsaem.1c03491

Zheng, Y.; Yin, D.; Seifert, H. J.; Pfleging, W.
Investigation of Fast-Charging and Degradation Processes in 3D Silicon–Graphite Anodes
2022. Nanomaterials, 12 (1), Art.-Nr.: 140. doi:10.3390/nano12010140

Borg, M. van den; Gaissmaier, D.; Fantauzzi, D.; Knobbe, E.; Jacob, T.
Atomistic Studies on Water-Induced Lithium Corrosion
2022. ChemSusChem, 15 (2), Art. Nr.: e202101765. doi:10.1002/cssc.202101765

Kapitz, M.; Wiesche, S. aus der; Kadic, S.; Strehle, S.
An experimental test of the Mocikat-Herwig theory of local turbulent heat transfer measurements on cold objects
2022. Heat and mass transfer, 58, 1041–1055. doi:10.1007/s00231-021-03158-y

Winter, E.; Seipel, P.; Zinkevich, T.; Indris, S.; Davaasuren, B.; Tietz, F.; Vogel, M.
Nuclear magnetic resonance (NMR) studies of sintering effects on the lithium ion dynamics in Li

_{1.5}

_{0.5}

_{1.5}

(PO

_{4}

)

_{3}

2022. Zeitschrift für physikalische Chemie, 236 (6-8), 817–837. doi:10.1515/zpch-2021-3109

Menezes, P. V.; Elnagar, M. M.; Al-Shakran, M.; Eckl, M. J.; Menezes, P. W.; Kibler, L. A.; Jacob, T.
In-Liquid Plasma for Surface Engineering of Cu Electrodes with Incorporated SiO

_{2}

Nanoparticles: From Micro to Nano
2022. Advanced Functional Materials, 32 (6), Art.Nr. 2107058. doi:10.1002/adfm.202107058

Conference Papers

Pfleging, W.
3D electrode architectures for high energy and high power lithium-ion batteries
2022. Energy Harvesting and Storage: Materials, Devices, and Applications XII. Ed.: P. Balaya, Society of Photo-optical Instrumentation Engineers (SPIE). doi:10.1117/12.2623655

Meyer, A.; Sterzl, Y.; Xiao, S.; Rädel, U.; Pfleging, W.
Ablation behaviour of electrode materials during high power and high repetition rate laser structuring
2022. R. Kling & A. Watanabe (Eds.), SPIE Photonics West 2022: Laser-based Micro- and Nanoprocessing XVI ; Proceedings ; 25-27 January 2022, San Francisco, CA, USA, 26, Society of Photo-optical Instrumentation Engineers (SPIE). doi:10.1117/12.2609536

Rist, U.; Reif, A.; Pfleging, W.
Laser-induced forward transfer as a versatile tool for developing silicon-based anode materials
2022. R. Kling & A. Watanabe (Eds.), Laser-based Micro- and Nanoprocessing XVI, SPIE. doi:10.1117/12.2609588

Zhu, P.; Meyer, A.; Pfleging, W.
Ultrafast laser ablation of aqueous processed thick-film Li(Ni

_{0.6}

_{0.2}

_{0.2}

)

_{O 2}

cathodes with 3D architectures for lithium-ion batteries
2022. R. Kling & A. Watanabe (Eds.), Laser-based Micro- and Nanoprocessing XVI, SPIE. doi:10.1117/12.2608609

Pfleging, W.; Zheng, Y.
How lasers can push silicon-graphite anodes towards next-generation battery
2022. R. Kling & A. Watanabe (Eds.), Laser-based Micro- and Nanoprocessing, SPIE. doi:10.1117/12.2609781

2021

Journal Articles

Song, C.; Yuan, Y.; Gu, D.; Chen, T.; Liu, Y.; Tang, A.; Wu, L.; Li, D.; Pan, F.
The Evaluation of Mg–Ga Compounds as Electrode Materials for Mg-Ion Batteries via Ab Initio Simulation
2021. Journal of the Electrochemical Society, 168 (11), Art.-Nr. 110539. doi:10.1149/1945-7111/ac3936

Zhang, S.; Wang, J.; Lei, T.; Li, X.; Liu, Y.; Guo, F.; Wang, J.; Zhang, W.; Dang, F.; Seifert, H.; Sun, L.; Du, Y.
First-principles study of Mn antisite defect in Li

_{2}

MnO

_{3}

2021. Journal of physics / Condensed matter, 33 (41), Art.-Nr.: 415201. doi:10.1088/1361-648X/ac16f6

Isaev, V. V.; Sergeev, A. V.; Zakharchenko, T. K.; Itkis, D. M.; Groß, A.; Yashina, L. V.
Impact of Cathodic Electric Double Layer Composition on the Performance of Aprotic Li-O

_{2}

Batteries
2021. Journal of the Electrochemical Society, 168 (3), Art.-Nr.: 030520. doi:10.1149/1945-7111/abe6ec

Debord, R.; Euchner, H.; Pischedda, V.; Hanfland, M.; San-Miguel, A.; Mélinon, P.; Pailhès, S.; Machon, D.
Isostructural phase transition by point defect reorganization in the binary type-I clathrate Ba

_{7.5}

_{45}

2021. Acta materialia, 210, Art.-Nr.: 116824. doi:10.1016/j.actamat.2021.116824

Eslamibidgoli, M. J.; Huang, J.; Kowalski, P. M.; Eikerling, M. H.; Groß, A.
Deprotonation and cation adsorption on the NiOOH/water interface: A grand-canonical first-principles investigation
2021. Electrochimica acta, 398, Art.-Nr.: 139253. doi:10.1016/j.electacta.2021.139253

De Lauri, V.; Krumbein, L.; Hein, S.; Prifling, B.; Schmidt, V.; Danner, T.; Latz, A.
Beneficial Effects of Three-Dimensional Structured Electrodes for the Fast Charging of Lithium-Ion Batteries
2021. ACS applied energy materials, 4 (12), 13847–13859. doi:10.1021/acsaem.1c02621

Li, H.; Hua, W.; Liu-Théato, X.; Fu, Q.; Desmau, M.; Missyul, A.; Knapp, M.; Ehrenberg, H.; Indris, S.
New Insights into Lithium Hopping and Ordering in LiNiO₂ Cathodes during Li (De)intercalation
2021. Chemistry of materials, 33 (24), 9546–9559. doi:10.1021/acs.chemmater.1c02680

Han, G.; Vasylenko, A.; Neale, A. R.; Duff, B. B.; Chen, R.; Dyer, M. S.; Dang, Y.; Daniels, L. M.; Zanella, M.; Robertson, C. M.; Kershaw Cook, L. J.; Hansen, A.-L.; Knapp, M.; Hardwick, L. J.; Blanc, F.; Claridge, J. B.; Rosseinsky, M. J.
Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability
2021. Journal of the American Chemical Society, 143 (43), 18216–18232. doi:10.1021/jacs.1c07874

Meyer, A.; Ball, F.; Pfleging, W.
The Effect of Silicon Grade and Electrode Architecture on the Performance of Advanced Anodes for Next Generation Lithium-Ion Cells
2021. Nanomaterials, (11), 3448 (27 pages). doi:10.3390/nano11123448

Song, Z.; Zhu, P.; Pfleging, W.; Sun, J.
Electrochemical Performance of Thick-Film Li(Ni

_{0.6}

_{0.2}

_{0.2}

_{2}

Cathode with Hierarchic Structures and Laser Ablation
2021. Nanomaterials, 11 (11), 2962. doi:10.3390/nano11112962

Putra, M. H.; Seidenath, S.; Kupfer, S.; Gräfe, S.; Groß, A.
Coupling of photoactive transition metal complexes to a functional polymer matrix**
2021. Chemistry - a European journal, 27 (68), 17104–17114. doi:10.1002/chem.202102776

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.
Spike residue 403 affects binding of coronavirus spikes to human ACE2
2021. Nature Communications, 12 (1), 6855. doi:10.1038/s41467-021-27180-0

Luo, X.; Fiedler, A.; Azmi, R.; Xu, W.; Huang, R.; Geßwein, H.; Maibach, J.; Bruns, M.; Indris, S.; Ehrenberg, H.; Kong, X. Y.
Enhancement of ionic conductivity in novel LiON-AlOₓ multilayer heterostructures prepared by atomic layer deposition
2021. Solid state ionics, 373, Article: 115796. doi:10.1016/j.ssi.2021.115796

Mayer, D.; Wurba, A.-K.; Bold, B.; Bernecker, J.; Smith, A.; Fleischer, J.
Investigation of the mechanical behavior of electrodes after calendering and its influence on singulation and cell performance
2021. Processes, 9 (11), Art.Nr. 2009. doi:10.3390/pr9112009

Jung, C. K.; Braunwarth, L.; Sinyavskiy, A.; Jacob, T.
Thermodynamic Description of Interfaces Applying the 2PT Method on Reax FF Molecular Dynamics Simulations
2021. Journal of Physical Chemistry C, 125 (44), 24663–24670. doi:10.1021/acs.jpcc.1c07327

Li, M.; Sakong, S.; Groß, A.
In Search of the Active Sites for the Selective Catalytic Reduction on Tungsten-Doped Vanadia Monolayer Catalysts Supported by TiO
2021. ACS catalysis, 11 (12), 7411–7421. doi:10.1021/acscatal.1c01406

Li, X.; Wang, J.; Zhang, S.; Sun, L.; Zhang, W.; Dang, F.; Seifert, H. J.; Du, Y.
Intrinsic Defects in LiMn

_{2}

_{4}

: First-Principles Calculations
2021. ACS omega, 6 (33), 21255–21264. doi:10.1021/acsomega.1c01162

Kirchhoff, B.; Ivanov, A.; Skúlason, E.; Jacob, T.; Fantauzzi, D.; Jónsson, H.
Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene
2021. Journal of Chemical Theory and Computation, 17 (10), 6405–6415. doi:10.1021/acs.jctc.1c00377

Butzelaar, A. J.; Röring, P.; Mach, T. P.; Hoffmann, M.; Jeschull, F.; Wilhelm, M.; Winter, M.; Brunklaus, G.; Théato, P.
Styrene-Based Poly(ethylene oxide) Side-Chain Block Copolymers as Solid Polymer Electrolytes for High-Voltage Lithium-Metal Batteries
2021. ACS applied materials & interfaces, 13 (33), 39257–39270. doi:10.1021/acsami.1c08841

Pimperl, N.; Bevilacqua, N.; Schmid, M. A.; Loichet Torres, P. A.; El-Sayed, H. A.; Zeis, R.; Zeyer, K. P.
Nitrogen-functionalized carbon-supported Pt catalysts implemented in high-temperature polymer electrolyte membrane fuel cell
2021. Journal of power sources, 507, Art.-Nr.: 229971. doi:10.1016/j.jpowsour.2021.229971

Kirchhoff, B.; Jónsson, E. Ö.; Dohn, A. O.; Jacob, T.; Jónsson, H.
Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations
2021. Journal of Chemical Theory and Computation, 17 (9), 5863–5875. doi:10.1021/acs.jctc.1c00522

Schuett, F. M.; Zeller, S. J.; Eckl, M. J.; Matzik, F. M.; Heubach, M.-K.; Geng, T.; Hermann, J. M.; Uhl, M.; Kibler, L. A.; Engstfeld, A. K.; Jacob, T.
Versatile 3D-Printed Micro-Reference Electrodes for Aqueous and Non-Aqueous Solutions
2021. Angewandte Chemie - International Edition, 60 (42), 22783–22790. doi:10.1002/anie.202105871

Schuett, F. M.; Heubach, M.-K.; Mayer, J.; Ceblin, M. U.; Kibler, L. A.; Jacob, T.
Electrodeposition of Zinc onto Au(111) and Au(100) from the Ionic Liquid [MPPip][TFSI]
2021. Angewandte Chemie / International edition, 60 (37), 20461–20468. doi:10.1002/anie.202107195

Zhu, P.; Han, J.; Pfleging, W.
Characterization and Laser Structuring of Aqueous Processed Li(Ni

_{0.6}

_{0.2}

_{0.2}

_{2}

Thick-Film Cathodes for Lithium-Ion Batteries
2021. Nanomaterials, 11 (7), Art.-Nr.: 1840. doi:10.3390/nano11071840

Stockhausen, R.; Hofmann, A.; Gehrlein, L.; Bergfeldt, T.; Müller, M.; Ehrenberg, H.; Smith, A.
Quantifying Absolute Amounts of Electrolyte Components in Lithium-Ion Cells Using HPLC
2021. Journal of the Electrochemical Society, 168 (8), Article: 080504. doi:10.1149/1945-7111/ac1894

Traskunov, I.; Latz, A.
Localized fluctuations of electrochemical properties in porous electrodes of lithium-ion batteries: Beyond porous electrode theory
2021. Electrochimica acta, 379, Art.-Nr.: 138144. doi:10.1016/j.electacta.2021.138144

Piescheck, M.; Abdelrahman, A.; Hermann, J. M.; Müller, H.; Jacob, T.; Kibler, L. A.
Hydrogen Peroxide Oxidation Reaction on a 4-Mercaptopyridine Self-Assembled Monolayer on Au(111) Metallized by Platinum Nanoislands
2021. Electrocatalysis, 12 (3), 264–271. doi:10.1007/s12678-021-00647-w

Didar, B. R.; Yashina, L.; Groß, A.
First-Principles Study of the Surfaces and Equilibrium Shape of Discharge Products in Li–Air Batteries
2021. ACS applied materials & interfaces, 13 (21), 24984–24994. doi:10.1021/acsami.1c05863

Schammer, M.; Horstmann, B.; Latz, A.
Theory of Transport in Highly Concentrated Electrolytes
2021. Journal of the Electrochemical Society, 168 (2), 026511. doi:10.1149/1945-7111/abdddf

Rohde, M.; Mohsin, I. U. I.; Ziebert, C.; Seifert, H. J.
Ionic and Thermal Transport in Na-Ion-Conducting Ceramic Electrolytes
2021. International journal of thermophysics, 42 (10), Art.-Nr.: 136. doi:10.1007/s10765-021-02886-x

Duan, K.; Zhu, L.; Li, M.; Xiao, L.; Bevilacqua, N.; Eifert, L.; Manke, I.; Markötter, H.; Zhang, R.; Zeis, R.; Sui, P.-C.
Multiphase and pore scale modeling on catalyst layer of high-temperature polymer electrolyte membrane fuel cell
2021. Journal of the Electrochemical Society, 168 (5), 054521. doi:10.1149/1945-7111/abff03

Zhang, H.; Zhu, L.; Harandi, H. B.; Duan, K.; Zeis, R.; Sui, P.-C.; Chuang, P.-Y. A.
Microstructure reconstruction of the gas diffusion layer and analyses of the anisotropic transport properties
2021. Energy Conversion and Management, 241, Art.-Nr.: 114293. doi:10.1016/j.enconman.2021.114293

Stehle, M.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Besser, H.; Pfleging, W.; Grunwaldt, J.-D.
Spatial activity profiling along a fixed bed of powder catalyst during selective oxidation of propylene to acrolein
2021. Catalysis science & technology, 11, 5781–5790. doi:10.1039/D1CY00553G

Hermann, J. M.; Müller, H.; Daccache, L.; Adler, C.; Keller, S.; Metzler, M.; Jacob, T.; Kibler, L. A.
Formic acid oxidation reaction on Au(111) electrodes modified with 4-mercaptopyridine SAM
2021. Electrochimica Acta, 388, Art.-Nr.: 138547. doi:10.1016/j.electacta.2021.138547

Bevilacqua, N.; Asset, T.; Schmid, M. A.; Markötter, H.; Manke, I.; Atanassov, P.; Zeis, R.
Impact of catalyst layer morphology on the operation of high temperature PEM fuel cells
2021. Journal of Power Sources Advances, 7, Art.-Nr.: 100042. doi:10.1016/j.powera.2020.100042

Hansen, A.-L.; Kremer, R. K.; Heppke, E. M.; Lerch, M.; Bensch, W.
Mechanochemical Synthesis and Magnetic Characterization of Nanosized Cubic Spinel FeCr₂S₄ Particles
2021. ACS omega, 6 (20), 13375–13383. doi:10.1021/acsomega.1c01412

Dixon, D.; Mangold, S.; Knapp, M.; Ehrenberg, H.; Bhaskar, A.
Direct Observation of Reductive Coupling Mechanism between Oxygen and Iron/Nickel in Cobalt-Free Li-Rich Cathode Material: An in Operando X-Ray Absorption Spectroscopy Study
2021. Advanced Energy Materials, 11 (24), Art.-Nr. 2100479. doi:10.1002/aenm.202100479

Mohsin, I. U.; Ziebert, C.; Rohde, M.; Seifert, H. J.
Comprehensive Electrochemical, Calorimetric Heat Generation and Safety Analysis of Na

_{0.53}

MnO

_{2}

Cathode Material in Coin Cells
2021. Journal of the Electrochemical Society, 168 (5), Art.-Nr. 050544. doi:10.1149/1945-7111/ac0176

Mueller, J. E.; Hoffmannová, H.; Hiratoko, T.; Krtil, P.; Jacob, T.
Structural evolution of a PtRu catalyst in the oxidation of an organic molecule
2021. Journal of Catalysis, 398, 89–101. doi:10.1016/j.jcat.2021.04.001

Song, Z.; Tong, J.; Pfleging, W.; Sun, J.
A review: Learning from the flight of beetles
2021. Computers in Biology and Medicine, 133, Art.-Nr.: 104397. doi:10.1016/j.compbiomed.2021.104397

Bertolini, S.; Jacob, T.
Density Functional Theory Studies on Sulfur-Polyacrylonitrile as a Cathode Host Material for Lithium-Sulfur Batteries
2021. ACS Omega, 6 (14), 9700–9708. doi:10.1021/acsomega.0c06240

Serrer, M.-A.; Stehle, M.; Schulte, M. L.; Besser, H.; Pfleging, W.; Saraci, E.; Grunwaldt, J.-D.
Spatially‐resolved insights into local activity and structure of Ni‐based CO₂ methanation catalysts in fixed‐bed reactors
2021. ChemCatChem, 13 (13), 3010–3020. doi:10.1002/cctc.202100490

Castelli, G. F.; Kolzenberg, L. von; Horstmann, B.; Latz, A.; Dörfler, W.
Efficient Simulation of Chemical–Mechanical Coupling in Battery Active Particles
2021. Energy technology, 9 (6), Art.-Nr.: 2000835. doi:10.1002/ente.202000835

Erakca, M.; Baumann, M.; Bauer, W.; Biasi, L. de; Hofmann, J.; Bold, B.; Weil, M.
Energy Flow Analysis of Laboratory Scale Lithium-Ion Battery Cell Production
2021. iScience, 24 (5), Article: 102437. doi:10.1016/j.isci.2021.102437

Zhang, E.; Fulik, N.; Zhang, H.; Bevilacqua, N.; Zeis, R.; Xu, F.; Brunner, E.; Kaskel, S.
NMR analysis of phosphoric acid distribution in porous fuel cell catalysts
2021. Chemical Communications, 57 (20), 2547–2550. doi:10.1039/d0cc07738k

Hassan, H. K.; Galal, A.; Atta, N. F.; Jacob, T.
Iron-based perovskites-reduced graphene oxide as possible cathode materials for rechargeable iron-ion battery
2021. Journal of Alloys and Compounds, 870, Art.-Nr.: 159383. doi:10.1016/j.jallcom.2021.159383

Zhu, L.; Yang, W.; Xiao, L.; Zhang, H.; Gao, X.; Sui, P.-C.
Stochastically modeled gas diffusion layers: Effects of binder and polytetrafluoroethylene on effective gas diffusivity
2021. Journal of the Electrochemical Society, 168 (1), Art.-Nr.: 014514. doi:10.1149/1945-7111/abdc60

Mohsin, I. U.; Ziebert, C.; Rohde, M.; Seifert, H. J.
Thermophysical Characterization of a Layered P2 Type Structure Na₀.₅₃MnO₂Cathode Material for Sodium Ion Batteries
2021. Batteries, 7 (1), Article no: 16. doi:10.3390/batteries7010016

Birkholz, O.; Neumann, M.; Schmidt, V.; Kamlah, M.
Statistical investigation of structural and transport properties of densely-packed assemblies of overlapping spheres using the resistor network method
2021. Powder technology, 378, 659–666. doi:10.1016/j.powtec.2020.09.056

2020

Journal Articles

Bresser, D.; Leclere, M.; Bernard, L.; Rannou, P.; Mendil-Jakani, H.; Kim, G.-T.; Zinkevich, T.; Indris, S.; Gebel, G.; Lyonnard, S.; Picard, L.
Organic Liquid Crystals as Single‐Ion Li+ Conductors
2020. ChemSusChem, 14 (2), 655–661. doi:10.1002/cssc.202001995