Publications

Gruppenfoto von Polis

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Molecular Modeling of Water-in-Salt Electrolytes: A Comprehensive Analysis of Polarization Effects and Force Field Parameters in Molecular Dynamics Simulations

Majid Rezaei, Sung Sakong, Axel Groß 

2023, JCTC Journal of Chemical Theory and Computation

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On a high-capacity aluminium battery with a two-electron phenothiazine redox polymer as a positive electrode

Gauthier Studer, Alexei Schmidt, Jan Büttner, Maximilian Schmidt, Anna Fischer, Ingo Krossing, Birgit Esser 

2023, Energy & Environmental Science

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A Structurally Flexible Halide Solid Electrolyte with High Ionic Conductivity and Air Processability

Guruprakash Karkera, Mervyn Soans, Ayça Akbaş, Raiker Witter, Holger Euchner, Thomas Diemant, Musa Ali Cambaz, Zhen Meng, Bosubabu Dasari, Shivaraju Guddehalli Chandrappa, Prashanth W. Menezes, Maximilian Fichtner

2023, Advanced Energy Materials

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Cathode Materials and Chemistries for Magnesium Batteries: Challenges and Opportunities

Zhenyou Li, Joachim Häcker, Maximilian Fichtner, Zhirong Zhao-Karger

2023, Advanced Energy Materials

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New Insights into Self-Discharge and Heat Generation in Magnesium Batteries

Dr. Ijaz Ul Mohsin, Dr. Sibylle Riedel, Dr. Yanlei Xiu, Dr. Zhirong Zhao-Karger, Dr. Carlos Ziebert

2023, Batteries & Supercaps

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P3 type layered oxide frameworks: An appealing family of insertion materials for K-ion batteries

Pawan Kumar Jha, Valérie Pralong, Maximilian Fichtner, Prabeer Barpanda

2023, Current Opinion in Electrochemistry

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Eldfellite NaV(SO4)2 as a versatile cathode insertion host for Li-ion and Na-ion batteries

Shashwat Singh, Deobrat Singh, Rajeev Ahuja, Maximilian Fichtner, Prabeer Barpanda

2023, Journal of Materials Chemistry A

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Robotic cell assembly to accelerate battery research 

Bojing Zhang, Leon Merker, Alexey Sanin, Helge S. Stein

2022, Digital Discovery

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A combined XPS and computational study of the chemical reduction of BMP-TFSI by lithium

Katrin Forster-Tonigold, Florian Buchner, Joachim Bansmann, R. Jürgen Behm, Axel Groß

2022, Batteries & Supercaps

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Initial Stages of Sodium Deposition onto Au(111) from [MPPip][TFSI]: An in-situ STM Study for Sodium-Ion Battery Electrolytes

Maren-Kathrin Heubach, Fabian M. Schuett, Dr. Ludwig A. Kibler, Dr. Areeg Abdelrahman, Prof. Dr. Timo Jacob

2022, ChemElectroChem

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Tungsten Oxytetrachloride as a Positive Electrode for Chloride-Ion Batteries

Guruprakash Karkera, Mervyn Soans, Bosubabu Dasari, Ediga Umeshbabu, Musa Ali Cambaz, Zhen Meng, Thomas Diemant, Maximilian Fichtner

2022, Energy Technology

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Reversible vs. standard hydrogen electrode scale in interfacial electrochemistry from a theoretician's atomistic point of view

Axel Groß

2022, J. Phys. Chem.

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Unravelling charge carrier mobility in d0-metal-based spinels

Manuel Dillenz, Mohsen Sotoudeh, Clarissa Glaser, Jürgen Janek, Axel Groß, Holger Euchner,

2022, Batteries & Supercaps

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Ab initio simulations of water/metal interfaces


Axel Groß & Sung Sakong


2022. Chemical Reviews

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Interaction of Mg with the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide—An experimental and computational model study of the electrode–electrolyte interface in post-lithium batteries


Buchner, F.; Forster-Tonigold, K.; Bolter, T.; Rampf, A.; Klein, J.; Groß, A.; Behm, R. J.


2022. Journal of vacuum science & technology

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Descriptor and scaling relations for ion mobility in crystalline solids

Mohsen Sotoudeh and Axel Groß,

JACS Au 2, 463–471 (2022), Open Access

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Mechanism of magnesium transport in spinel chalcogenides.
Mohsen Sotoudeh, Manuel Dillenz, and Axel Groß
2021, Adv. Energy Sustainability Res. 2. Open Access.

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An alternative charge storage mechanism for high-performance sodium-ion and potassium-ion anodes.
Yanjiao Ma, Yuan Ma, Holger Euchner, Xu Liu, Huang Zhang, Bingsheng Qin, Dorin Geiger, Johannes Biskupek, Anna Carlsson, Ute Kaiser, Axel Groß,  Stefano Passerini, and Dominic Bresser
2021, ACS Energy Lett. 6.

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Performance Study of MXene/Carbon Nanotube Composites for Current Collector- and Binder-Free Mg–S Batteries.
Henning Kaland, Frode Håskjold Fagerli, Jacob Hadler-Jacobsen, Dr. Zhirong Zhao-Karger, Prof. Maximilian Fichtner, Prof. Kjell Wiik, Dr. Nils P. Wagner
2021, ChemSusChem.

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Polyoxometalate Modified Separator for Performance Enhancement of Magnesium–Sulfur Batteries.
Yuanchun Ji, Xinyang Liu-Théato, Yanlei Xiu, Sylvio Indris, Christian Njel, Julia Maibach, Helmut Ehrenberg, Maximilian Fichtner, and Zhirong Zhao-Karger
2021, Adv. Funct. Mater.

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Calorimetry for the development of an improved sodium-ion battery
Ziebert, C.
2021. Innovation Newsnetwork

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Thermophysical Characterization of a Layered P2 Type Structure Na₀.₅₃MnO₂Cathode Material for Sodium Ion Batteries.
Mohsin, I. U.; Ziebert, C.; Rohde, M.; Seifert, H. J.
2021. Batteries

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Rechargeable Calcium–Sulfur Batteries Enabled by an Efficient Borate-Based Electrolyte
Li, Z.; Vinayan, B. P.; Diemant, T.; Behm, R. J.; Fichtner, M.; Zhao-Karger, Z.
2020. Small

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Strain Dependence of Metal Anode Surface Properties.
Stottmeister, Daniel & Groß, Axel
2020. ChemSusChem.

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Surface Science and Electrochemical Model Studies on the Interaction of Graphite and Li‐Containing Ionic Liquids.
Weber, Isabella; Kim, Jihyun; Buchner, Florian; Schnaidt, Johannes; Behm, R. Jürgen
2020. ChemSusChem.

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Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries.
Li, Z.; Fuhr, O.; Fichtner, M.; Zhao-Karger, Z.
2019. Energy & environmental science, 12 (12), 3496–3501.

  

2023

Societal acceptability of large stationary battery storage systems
Baur, D.; Baumann, M. J.; Stuhm, P.; Weil, M.
2023. Energy Technology, 11 (6), Art.-Nr.: 2201454. doi:10.1002/ente.202201454 VolltextVolltext der Publikation als PDF-Dokument 
Multi‐Component PtFeCoNi Core‐Shell Nanoparticles on MWCNTs as Promising Bifunctional Catalyst for Oxygen Reduction and Oxygen Evolution Reactions
Braun, T.; Dinda, S.; Karkera, G.; Melinte, G.; Diemant, T.; Kübel, C.; Fichtner, M.; Pammer, F.
2023. ChemistrySelect, 8 (29), Art.-Nr.: e202300396. doi:10.1002/slct.202300396 VolltextVolltext der Publikation als PDF-Dokument 
The role of exact exchange on the structure of water dimer radical cation: Hydrogen bond vs hemibond
Busch, M.; Sotoudeh, M.
2023. The Journal of Chemical Physics, 159 (3), Article no: 034303. doi:10.1063/5.0153759 
Exploring the influence of FIB processing and SEM imaging on solid-state electrolytes
Ding, Z.; Tang, Y.; Chakravadhanula, V. S. K.; Ma, Q.; Tietz, F.; Dai, Y.; Scherer, T.; Kübel, C.
2023. Microscopy, 72 (4), 326–335. doi:10.1093/jmicro/dfac064 VolltextVolltext der Publikation als PDF-Dokument 
Closing gaps in LCA of lithium-ion batteries: LCA of lab-scale cell production with new primary data
Erakca, M.; Pinto Bautista, S.; Moghaddas, S.; Baumann, M.; Bauer, W.; Leuthner, L.; Weil, M.
2023. Journal of Cleaner Production, 384, Art.-Nr.: 135510. doi:10.1016/j.jclepro.2022.135510 VolltextVolltext der Publikation als PDF-Dokument 
Reactive Metals as Energy Storage and Carrier Media
Ersoy, H.; Baumann, M.; Weil, M.; Barelli, L.; Passerini, S.
2023. Sustainable Energy Storage in the Scope of Circular Economy – Advanced Materials and Device Design. Ed.: C. Costa, 17–41, John Wiley and Sons. doi:10.1002/9781119817741.ch2 
Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium‐Ion Batteries
Fiesinger, F.; Gaissmaier, D.; van den Borg, M.; Beßner, J.; van Duin, A. C. T.; Jacob, T.
2023. ChemSusChem, 16 (3), Art.-Nr.: e202201821. doi:10.1002/cssc.202201821 VolltextVolltext der Publikation als PDF-Dokument 
Guest Ion-Dependent Reaction Mechanisms of New Pseudocapacitive MgV(PO)/Carbon Composite as Negative Electrode for Monovalent-Ion Batteries
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.
2023. Advanced Science, 10 (11), Art.-Nr.: 2207283. doi:10.1002/advs.202207283 VolltextVolltext der Publikation als PDF-Dokument 
Challenges for ab initio molecular dynamics simulations of electrochemical interfaces
Groß, A.
2023. Current Opinion in Electrochemistry, 40, Article no: 101345. doi:10.1016/j.coelec.2023.101345 
Experimental and Computational Aspects of Electrochemical Reflection Anisotropy Spectroscopy : A Review
Guidat, M.; Löw, M.; Kölbach, M.; Kim, J.; May, M. M.
2023. ChemElectroChem, 10 (8), e2023000. doi:10.1002/celc.202300027 VolltextVolltext der Publikation als PDF-Dokument 
Asymptotic properties of one-layer artificial neural networks with sparse connectivity
Hirsch, C.; Neumann, M.; Schmidt, V.
2023. Statistics & Probability Letters, 193, Art.-Nr.: 109698. doi:10.1016/j.spl.2022.109698 
Dynamic inconsistency between electrochemical reaction and phase transition in Na-deficient layered cathode materials
Hua, W.; Yang, X.; Wang, S.; Li, H.; Senyshyn, A.; Tayal, A.; Baran, V.; Chen, Z.; Avdeev, M.; Knapp, M.; Ehrenberg, H.; Saadoune, I.; Chou, S.; Indris, S.; Guo, X.
2023. Energy Storage Materials, 61, Article no: 102906. doi:10.1016/j.ensm.2023.102906 
P3 type layered oxide frameworks: An appealing family of insertion materials for K-ion batteries
Jha, P. K.; Pralong, V.; Fichtner, M.; Barpanda, P.
2023. Current Opinion in Electrochemistry, 38, Art.-Nr.: 101216. doi:10.1016/j.coelec.2023.101216 
Entropic Contributions to Sodium Solvation and Solvent Stabilization upon Electrochemical Sodium deposition from Diglyme and Propylene Carbonate Electrolytes
Karcher, F.; Uhl, M.; Geng, T.; Jacob, T.; Schuster, R.
2023. Angewandte Chemie International Edition, e202301253. doi:10.1002/anie.202301253 VolltextVolltext der Publikation als PDF-Dokument 
From lithium to potassium: Comparison of cations in poly(ethylene oxide)-based block copolymer electrolytes for solid-state alkali metal batteries
Khudyshkina, A. D.; Butzelaar, A. J.; Guo, Y.; Hoffmann, M.; Bergfeldt, T.; Schaller, M.; Indris, S.; Wilhelm, M.; Théato, P.; Jeschull, F.
2023. Electrochimica Acta, 454, Article no: 142421. doi:10.1016/j.electacta.2023.142421 VolltextVolltext der Publikation als PDF-Dokument 
Drying of Compact and Porous NCM Cathode Electrodes in Different Multilayer Architectures: Influence of Layer Configuration and Drying Rate on Electrode Properties
Klemens, J.; Burger, D.; Schneider, L.; Spiegel, S.; Müller, M.; Bohn, N.; Bauer, W.; Ehrenberg, H.; Scharfer, P.; Schabel, W.
2023. Energy Technology, 2300267. doi:10.1002/ente.202300267 VolltextVolltext der Publikation als PDF-Dokument 
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
Klemens, J.; Schneider, L.; Burger, D.; Zimmerer, N.; Müller, M.; Bauer, W.; Ehrenberg, H.; Scharfer, P.; Schabel, W.
2023. Energy Technology, Art.-Nr.: 2300338. doi:10.1002/ente.202300338 VolltextVolltext der Publikation als PDF-Dokument 
Investigation of SnS₂‐rGO Sandwich Structures as Negative Electrode for Sodium‐ion and Potassium‐ion Batteries
Li, C.; Pfeifer, K.; Luo, X.; Melinte, G.; Wang, J.; Zhang, Z.; Zhang, Y.; Dong, P.; Sarapulova, A.; Ehrenberg, H.; Dsoke, S.
2023. ChemSusChem, e202202281. doi:10.1002/cssc.202202281 VolltextVolltext der Publikation als PDF-Dokument 
Chemistry, electrochemistry, and electrochemical applications of magnesium
Li, Z.; Wang, L.; Bautista, S. P.; Weil, M.
2023. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Ed.: J. Reedijk, Elsevier. doi:10.1016/B978-0-323-96022-9.00066-9 
ToF-SIMS in battery research: Advantages, limitations, and best practices
Lombardo, T.; Walther, F.; Kern, C.; Moryson, Y.; Weintraut, T.; Henss, A.; Rohnke, M.
2023. Journal of Vacuum Science & Technology A, 41 (5), Article no: 053207. doi:10.1116/6.0002850 VolltextVolltext der Publikation als PDF-Dokument 
Environmental life cycle assessment of emerging solid-state batteries: A review
Mandade, P.; Weil, M.; Baumann, M.; Wei, Z.
2023. Chemical engineering journal advances, 13, Art.-Nr.: 100439. doi:10.1016/j.ceja.2022.100439 VolltextVolltext der Publikation als PDF-Dokument 
Sodium Insertion into Fe[Fe(CN) 6 ] Framework Prepared by Microwave‐Assisted Co‐Precipitation
Maroni, F.; Li, M.; Dongmo, S.; Gauckler, C.; Wohlfahrt-Mehrens, M.; Giorgetti, M.; Marinaro, M.
2023. ChemElectroChem, e202201070. doi:10.1002/celc.202201070 VolltextVolltext der Publikation als PDF-Dokument 
New insights into Self‐discharge and Heat Generation in Magnesium Batteries
Mohsin, I. U.; Riedel, S.; Xiu, Y.; Zhao-Karger, Z.; Ziebert, C.
2023. Batteries & Supercaps. doi:10.1002/batt.202300137 VolltextVolltext der Publikation als PDF-Dokument 
Enabling the Electrochemical Performance of Maricite-NaMnPO4 and Maricite-NaFePO4 Cathode Materials in Sodium-Ion Batteries
Mohsin, I. U.; Schneider, L.; Yu, Z.; Cai, W.; Ziebert, C.
2023. (A. Arunachalam, Hrsg.) International Journal of Electrochemistry, 2023, Artlk. ID.: 6054452. doi:10.1155/2023/6054452 
Effect of self and extrinsic encapsulation on electron resilience of porous 2D polymer nanosheets
Mücke, D.; Linck, M.; Guzzinati, G.; Müller, H.; Levin, B. D. A.; Bammes, B. E.; Brouwer, R. G.; Jelezko, F.; Qi, H.; Kaiser, U.
2023. Micron, 174, Article no: 103525. doi:10.1016/j.micron.2023.103525 
A data-driven modeling approach to quantify morphology effects on transport properties in nanostructured NMC particles
Neumann, M.; Wetterauer, S. E.; Osenberg, M.; Hilger, A.; Gräfensteiner, P.; Wagner, A.; Bohn, N.; Binder, J. R.; Manke, I.; Carraro, T.; Schmidt, V.
2023. International Journal of Solids and Structures, 280, Article no: 112394. doi:10.1016/j.ijsolstr.2023.112394 VolltextVolltext der Publikation als PDF-Dokument 
Open Challenges on Aluminum Triflate-Based Electrolytes for Aluminum Batteries
Rahide, F.; Zemlyanushin, E.; Bosch, G.-M.; Dsoke, S.
2023. Journal of The Electrochemical Society, 170 (3), Article no: 030546. doi:10.1149/1945-7111/acc762 VolltextVolltext der Publikation als PDF-Dokument 
Surface Properties‐Performance Relationship of Aluminum Foil as Negative Electrode for Rechargeable Aluminum Batteries
Sabi, N.; Palanisamy, K.; Rahide, F.; Daboss, S.; Kranz, C.; Dsoke, S.
2023. Batteries & Supercaps, e202300298. doi:10.1002/batt.202300298 
On a high-capacity aluminium battery with a two-electron phenothiazine redox polymer as positive electrode
Studer, G.; Schmidt, A.; Büttner, J.; Schmidt, M.; Fischer, A.; Krossing, I.; Esser, B.
2023. Energy & Environmental Science. doi:10.1039/D3EE00235G VolltextVolltext der Publikation als PDF-Dokument 
Brokering between tenants for an international materials acceleration platform
Vogler, M.; Busk, J.; Hajiyani, H.; Jørgensen, P. B.; Safaei, N.; Castelli, I. E.; Ramirez, F. F.; Carlsson, J.; Pizzi, G.; Clark, S.; Hanke, F.; Bhowmik, A.; Stein, H. S.
2023. Matter, 6 (9), 2647–2665. doi:10.1016/j.matt.2023.07.016 VolltextVolltext der Publikation als PDF-Dokument 
Segmentation and morphological analysis of amyloid fibrils from cryo-EM image data
Weber, M.; Neumann, M.; Schmidt, M.; Pfeiffer, P. B.; Bansal, A.; Fändrich, M.; Schmidt, V.
2023. Journal of Mathematics in Industry, 13 (2). doi:10.1186/s13362-023-00131-8 VolltextVolltext der Publikation als PDF-Dokument 
Anion Storage Chemistry of Organic Cathodes for High‐Energy and High‐Power Density Divalent Metal Batteries
Xiu, Y.; Mauri, A.; Dinda, S.; Pramudya, Y.; Ding, Z.; Diemant, T.; Sarkar, A.; Wang, L.; Li, Z.; Wenzel, W.; Fichtner, M.; Zhao-Karger, Z.
2023. Angewandte Chemie International Edition, 62 (2), Art.: e202212339. doi:10.1002/anie.202212339 VolltextVolltext der Publikation als PDF-Dokument 

2022

Comparing the Solid Electrolyte Interphases on Graphite Electrodes in K and Li Half Cells
Allgayer, F.; Maibach, J.; Jeschull, F.
2022. ACS applied energy materials, 5 (1), 1136–1148. doi:10.1021/acsaem.1c03491 VolltextVolltext der Publikation als PDF-Dokument 
A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030+
Amici, J.; Asinari, P.; Ayerbe, E.; Barboux, P.; Bayle-Guillemaud, P.; Behm, R. J.; Berecibar, M.; Berg, E.; Bhowmik, A.; Bodoardo, S.; Castelli, I. E.; Cekic-Laskovic, I.; Christensen, R.; Clark, S.; Diehm, R.; Dominko, R.; Fichtner, M.; Franco, A. A.; Grimaud, A.; Guillet, N.; Hahlin, M.; Hartmann, S.; Heiries, V.; Hermansson, K.; Heuer, A.; Jana, S.; Jabbour, L.; Kallo, J.; Latz, A.; Lorrmann, H.; Løvvik, O. M.; Lyonnard, S.; Meeus, M.; Paillard, E.; Perraud, S.; Placke, T.; Punckt, C.; Raccurt, O.; Ruhland, J.; Sheridan, E.; Stein, H.; Tarascon, J.-M.; Trapp, V.; Vegge, T.; Weil, M.; Wenzel, W.; Winter, M.; Wolf, A.; Edström, K.
2022. Advanced Energy Materials, 12 (17), Art.-Nr.: 2102785. doi:10.1002/aenm.202102785 VolltextVolltext der Publikation als PDF-Dokument 
Comprehensive Approach to Investigate the De‐/Lithiation Mechanism of Fe‐Doped SnO₂ as Lithium‐Ion Anode Material
Asenbauer, J.; Wirsching, A.-L.; Lang, M.; Indris, S.; Eisenmann, T.; Mullaliu, A.; Birrozzi, A.; Hoefling, A.; Geiger, D.; Kaiser, U.; Schuster, R.; Bresser, D.
2022. Advanced Sustainable Systems, 6 (8), Artkl. Nr.: 2200102. doi:10.1002/adsu.202200102 VolltextVolltext der Publikation als PDF-Dokument 
Charging sustainable batteries
Bauer, C.; Burkhardt, S.; Dasgupta, N. P.; Ellingsen, L. A.-W.; Gaines, L. L.; Hao, H.; Hischier, R.; Hu, L.; Huang, Y.; Janek, J.; Liang, C.; Li, H.; Li, J.; Li, Y.; Lu, Y.-C.; Luo, W.; Nazar, L. F.; Olivetti, E. A.; Peters, J. F.; Rupp, J. L. M.; Weil, M.; Whitacre, J. F.; Xu, S.
2022. Nature Sustainability, 5 (3), 176–178. doi:10.1038/s41893-022-00864-1 
High-Throughput Experimentation and Computational Freeway Lanes for Accelerated Battery Electrolyte and Interface Development Research
Benayad, A.; Diddens, D.; Heuer, A.; Krishnamoorthy, A. N.; Maiti, M.; Cras, F. L.; Legallais, M.; Rahmanian, F.; Shin, Y.; Stein, H.; Winter, M.; Wölke, C.; Yan, P.; Cekic-Laskovic, I.
2022. Advanced Energy Materials, 12 (17), Art.Nr.: 2102678. doi:10.1002/aenm.202102678 VolltextVolltext der Publikation als PDF-Dokument 
Managing FAIR Tribological Data Using Kadi4Mat
Brandt, N.; Garabedian, N. T.; Schoof, E.; Schreiber, P. J.; Zschumme, P.; Greiner, C.; Selzer, M.
2022. Data, 7 (2), Art.-Nr. 15. doi:10.3390/data7020015 VolltextVolltext der Publikation als PDF-Dokument 
Interaction of Mg with the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide—An experimental and computational model study of the electrode–electrolyte interface in post-lithium batteries
Buchner, F.; Forster-Tonigold, K.; Bolter, T.; Rampf, A.; Klein, J.; Groß, A.; Behm, R. J.
2022. Journal of vacuum science & technology / A, 40 (2), Artikel-Nr.: 023204. doi:10.1116/6.0001658 
Autonomous visual detection of defects from battery electrode manufacturing
Choudhary, N.; Clever, H.; Ludwigs, R.; Rath, M.; Gannouni, A.; Schmetz, A.; Hülsmann, T.; Sawodny, J.; Fischer, L.; Kampker, A.; Fleischer, J.; Stein, H. S.
2022. American Chemical Society (ACS). doi:10.26434/chemrxiv-2022-pvwj3 VolltextVolltext der Publikation als PDF-Dokument 
From high‐pressure β‐V 2 O 5 to κ‐Na x V 2 O 5 (x = 0.4 – 0.55): a structural, chemical and kinetic insight into a sodiated phase with a large interlayer space
Córdoba, R.; Goclon, J.; Sarapulova, A.; Fu, Q.; Maibach, J.; Dsoke, S.; Fauth, F.; Kuhn, A.; García-Alvarado, F.
2022. Applied Research, 2 (1), Art.Nr. e202200052. doi:10.1002/appl.202200052 
Unravelling Charge Carrier Mobility in d₀ ‐Metal‐based Spinels
Dillenz, M.; Sotoudeh, M.; Glaser, C.; Janek, J.; Groß, A.; Euchner, H.
2022. Batteries & Supercaps, 5 (7), Art.-Nr. e202200164. doi:10.1002/batt.202200164 VolltextVolltext der Publikation als PDF-Dokument 
Atomistic modeling of Li- and post-Li-ion batteries
Euchner, H.; Groß, A.
2022. Physical Review Materials, 6 (4), Article no: 040302. doi:10.1103/PhysRevMaterials.6.040302 
Rechargeable Batteries of the Future—The State of the Art from a BATTERY 2030+ Perspective
Fichtner, M.; Edström, K.; Ayerbe, E.; Berecibar, M.; Bhowmik, A.; Castelli, I. E.; Clark, S.; Dominko, R.; Erakca, M.; Franco, A. A.; Grimaud, A.; Horstmann, B.; Latz, A.; Lorrmann, H.; Meeus, M.; Narayan, R.; Pammer, F.; Ruhland, J.; Stein, H.; Vegge, T.; Weil, M.
2022. Advanced Energy Materials, 12 (17), 2102904. doi:10.1002/aenm.202102904 VolltextVolltext der Publikation als PDF-Dokument 
Recent Research and Progress in Batteries for Electric Vehicles
Fichtner, M.
2022. Batteries and Supercaps, 5 (2), e202100224. doi:10.1002/batt.202100224 VolltextVolltext der Publikation als PDF-Dokument 
First‐Principles Studies on the Atomistic Properties of Metallic Magnesium as Anode Material in Magnesium‐Ion Batteries
Fiesinger, F.; Gaissmaier, D.; Borg, M.; Jacob, T.
2022. ChemSusChem, 15 (14), Art.Nr. e202200414. doi:10.1002/cssc.202200414 VolltextVolltext der Publikation als PDF-Dokument 
A Combined XPS and Computational Study of the Chemical Reduction of BMP‐TFSI by Lithium
Forster-Tonigold, K.; Buchner, F.; Bansmann, J.; Behm, R. J.; Groß, A.
2022. Batteries & Supercaps, 5 (12), Art._Nr: e202200484. doi:10.1002/batt.202200484 
A Combined XPS and Computational Study of the Chemical Reduction of BMP‐TFSI by Lithium
Forster-Tonigold, K.; Buchner, F.; Bansmann, J.; Behm, R. J.; Groß, A.
2022. Batteries and Supercaps, 5 (12), Art.Nr. e202200307. doi:10.1002/batt.202200307 VolltextVolltext der Publikation als PDF-Dokument 
Preferred Site Occupation of Doping Cation and Its Impact on the Local Structure of V₂O₅
Fu, Q.; Hansen, A.-L.; Schwarz, B.; Sarapulova, A.; Zhu, L.; Tian, G.; Etter, M.; Missyul, A.; Welter, E.; Murzin, V.; Indris, S.; Azmi, R.; Knapp, M.; Dsoke, S.; Ehrenberg, H.
2022. Chemistry of Materials, 34 (22), 9844–9853. doi:10.1021/acs.chemmater.2c01695 VolltextVolltext der Publikation als PDF-Dokument 
High‐Voltage Aqueous Mg‐Ion Batteries Enabled by Solvation Structure Reorganization
Fu, Q.; Wu, X.; Luo, X.; Indris, S.; Sarapulova, A.; Bauer, M.; Wang, Z.; Knapp, M.; Ehrenberg, H.; Wei, Y.; Dsoke, S.
2022. Advanced functional materials, 32 (16), Art.Nr.: 2110674. doi:10.1002/adfm.202110674 VolltextVolltext der Publikation als PDF-Dokument 
V₂O₅ as a versatile electrode material for postlithium energy storage systems
Fu, Q.; Zhao, H.; Sarapulova, A.; Dsoke, S.
2022. Applied Research, 2 (3), Art.Nr.: e202200070. doi:10.1002/appl.202200070 VolltextVolltext der Publikation als PDF-Dokument 
Detailed Structural and Electrochemical Comparison between High Potential Layered P2-NaMnNi and Doped P2-NaMnNiMg Oxides
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.
2022. ACS Applied Energy Materials, 5 (11), 13735–13750. doi:10.1021/acsaem.2c02402 
Reversible vs Standard Hydrogen Electrode Scale in Interfacial Electrochemistry from a Theoretician’s Atomistic Point of View
Groß, A.
2022. The Journal of Physical Chemistry C, 126 (28), 11439–11446. doi:10.1021/acs.jpcc.2c02734 VolltextVolltext der Publikation als PDF-Dokument 
Ab Initio Simulations of Water/Metal Interfaces
Groß, A.; Sakong, S.
2022. Chemical Reviews, 122 (12), 10746–10776. doi:10.1021/acs.chemrev.1c00679 VolltextVolltext der Publikation als PDF-Dokument 
Revisiting the Chevrel Phase: Impact of Dispersion Corrections on the Properties of Mo6S8 for Cathode Applications**
Helmbrecht, K.; Euchner, H.; Groß, A.
2022. Batteries & Supercaps, 5 (8), Art.Nr. e202200002. doi:10.1002/batt.202200002 
Initial Stages of Sodium Deposition onto Au(111) from [MPPip][TFSI]: An In‐Situ STM Study for Sodium‐Ion Battery Electrolytes
Heubach, M.-K.; Schuett, F. M.; Kibler, L. A.; Abdelrahman, A.; Jacob, T.
2022. ChemElectroChem, 9 (20), Art.Nr.: e202200722. doi:10.1002/celc.202200722 VolltextVolltext der Publikation als PDF-Dokument 
Novel Phosphonium-Based Ionic Liquid Electrolytes for Battery Applications
Hofmann, A.; Rauber, D.; Wang, T.-M.; Hempelmann, R.; Kay, C. W. M.; Hanemann, T.
2022. Molecules, 27 (15), Art.Nr.: 4729. doi:10.3390/molecules27154729 VolltextVolltext der Publikation als PDF-Dokument 
Dataset of propylene carbonate based liquid electrolyte mixtures for sodium-ion cells
Hofmann, A.; Wang, Z.; Bautista, S. P.; Weil, M.; Müller, F.; Löwe, R.; Schneider, L.; Mohsin, I. U.; Hanemann, T.
2022. Data in Brief, 40, Article no: 107775. doi:10.1016/j.dib.2021.107775 VolltextVolltext der Publikation als PDF-Dokument 
Advancing the Sustainability of Batteries. A Tongji University/Nature Sustainability Expert Panel Report
Huang, Y.; Bauer, C.; Burkhardt, S.; Dasgupta, N. P.; Ellingsen, L. A.-W.; Gaines, L. L.; Hao, H.; Hischier, R.; Hu, L.; Huang, Y.-M.; Janek, J.; Liang, C.; Li, H.; Li, J.; Li, Y.; Lu, Y.-C.; Luo, W.; Nazar, L. F.; Olivetti, E. A.; Peters, J. F.; Rupp, J. L. M.; Weil, M.; Whitacre, J. F.; Xu, S.
2022. Tongji University 
Development of Magnesium Borate Electrolytes: Explaining the Success of Mg[B(hfip)4]2 Salt
Jankowski, P.; Li, Z.; Zhao-Karger, Z.; Diemant, T.; Fichtner, M.; Vegge, T.; Lastra, J. M. G.
2022. Energy storage materials, 45, 1133–1143. doi:10.1016/j.ensm.2021.11.012 VolltextVolltext der Publikation als PDF-Dokument 
Poly(ethylene oxide)-Based Electrolytes for Solid-State Potassium Metal Batteries with a Prussian Blue Positive Electrode
Khudyshkina, A. D.; Morozova, P. A.; Butzelaar, A. J.; Hoffmann, M.; Wilhelm, M.; Theato, P.; Fedotov, S. S.; Jeschull, F.
2022. ACS Applied Polymer Materials, 4 (4), 2734–2746. doi:10.1021/acsapm.2c00014 VolltextVolltext der Publikation als PDF-Dokument 
Drying of NCM Cathode Electrodes with Porous, Nanostructured Particles Versus Compact Solid Particles: Comparative Study of Binder Migration as a Function of Drying Conditions
Klemens, J.; Schneider, L.; Herbst, E. C.; Bohn, N.; Müller, M.; Bauer, W.; Scharfer, P.; Schabel, W.
2022. Energy technology, 10 (4), Article no: 2100985. doi:10.1002/ente.202100985 VolltextVolltext der Publikation als PDF-Dokument 
Simulation-Based and Data-Driven Techniques for Quantifying the Influence of the Carbon Binder Domain on Electrochemical Properties of Li-Ion Batteries
Knorr, T.; Hein, S.; Prifling, B.; Neumann, M.; Danner, T.; Schmidt, V.; Latz, A.
2022. Energies, 15 (21), Art.-Nr.: 7821. doi:10.3390/en15217821 VolltextVolltext der Publikation als PDF-Dokument 
The interfacial structure of InP(100) in contact with HCl and H2SO4 studied by reflection anisotropy spectroscopy
Löw, M.; Guidat, M.; Kim, J.; May, M. M.
2022. RSC Advances, 12 (50), 32756–32764. doi:10.1039/D2RA05159A VolltextVolltext der Publikation als PDF-Dokument 
Resolving the Role of Configurational Entropy in Improving Cycling Performance of Multicomponent Hexacyanoferrate Cathodes for Sodium‐Ion Batteries
Ma, Y.; Hu, Y.; Pramudya, Y.; Diemant, T.; Wang, Q.; Goonetilleke, D.; Tang, Y.; Zhou, B.; Hahn, H.; Wenzel, W.; Fichtner, M.; Ma, Y.; Breitung, B.; Brezesinski, T.
2022. Advanced Functional Materials, 32 (34), Art.Nr. 2202372. doi:10.1002/adfm.202202372 VolltextVolltext der Publikation als PDF-Dokument 
Advances in Nanomaterials for Lithium-Ion/Post-Lithium-Ion Batteries and Supercapacitors
Marinaro, M.; Dsoke, S.
2022. Nanomaterials, 12 (15), Art.Nr. 2512. doi:10.3390/nano12152512 VolltextVolltext der Publikation als PDF-Dokument 
Sodiation of hard carbon: how separating enthalpy and entropy contributions can find transitions hidden in the voltage profile
Mercer, M.; Affleck, S.; Gavilan-Arriazu, E. M.; Zulke, A. A.; Maughan, P. A.; Trivedi, S.; Fichtner, M.; Reddy Munnangi, A.; Leiva, E. P. M.; Hoster, H. E.
2022. ChemPhysChem, 23 (5), e202100748. doi:10.1002/cphc.202100748 
Heat generation and degradation mechanisms studied on Na₃V₂(PO₄)₃/C positive electrode material in full pouch / coin cell assembly
Mohsin, I. U.; Schneider, L.; Häringer, M.; Ziebert, C.; Rohde, M.; Bauer, W.; Ehrenberg, H.; Seifert, H. J.
2022. Journal of Power Sources, 545, Art.-Nr.: 231901. doi:10.1016/j.jpowsour.2022.231901 VolltextVolltext der Publikation als PDF-Dokument 
3D microstructure characterization of polymer battery electrodes by statistical image analysis based on synchrotron X-ray tomography
Neumann, M.; Ademmer, M.; Osenberg, M.; Hilger, A.; Wilde, F.; Muench, S.; Hager, M. D.; Schubert, U. S.; Manke, I.; Schmidt, V.
2022. Journal of Power Sources, 542, 231783. doi:10.1016/j.jpowsour.2022.231783 VolltextVolltext der Publikation als PDF-Dokument 
Classification of FIB/SEM-tomography images for highly porous multiphase materials using random forest classifiers
Osenberg, M.; Hilger, A.; Neumann, M.; Wagner, A.; Bohn, N.; Binder, J. R.; Schmidt, V.; Banhart, J.; Manke, I.
2022. arxiv. doi:10.48550/arXiv.2207.14114 VolltextVolltext der Publikation als PDF-Dokument 
Layered P2-NaMnNiO Cathode Materials For Sodium-Ion Batteries: Synthesis, Electrochemistry and Influence of Ambient Storage
Pfeiffer, L. F.; Jobst, N.; Gauckler, C.; Lindén, M.; Marinaro, M.; Passerini, S.; Wohlfahrt-Mehrens, M.; Axmann, P.
2022. Frontiers in Energy Research, 10, Art.-Nr.: 910842. doi:10.3389/fenrg.2022.910842 VolltextVolltext der Publikation als PDF-Dokument 
Visualization of structural changes and degradation of porphyrin-based battery electrodes
Philipp, T.; Neusser, G.; Abouzari-Lotf, E.; Shakouri, S.; Wilke, F. D. H.; Fichtner, M.; Ruben, M.; Mundszinger, M.; Biskupek, J.; Kaiser, U.; Scheitenberger, P.; Lindén, M.; Kranz, C.
2022. Journal of Power Sources, 522, Art.-Nr.: 231002. doi:10.1016/j.jpowsour.2022.231002 
Quantitative Comparison of Different Approaches for Reconstructing the Carbon‐Binder Domain from Tomographic Image Data of Cathodes in Lithium‐Ion Batteries and Its Influence on Electrochemical Properties
Prifling, B.; Neumann, M.; Hein, S.; Danner, T.; Heider, E.; Hoffmann, A.; Rieder, P.; Hilger, A.; Osenberg, M.; Manke, I.; Wohlfahrt-Mehrens, M.; Latz, A.; Schmidt, V.
2022. Energy Technology, Art.-Nr.: 2200784. doi:10.1002/ente.202200784 VolltextVolltext der Publikation als PDF-Dokument 
Enabling Modular Autonomous Feedback-Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration
Rahmanian, F.; Flowers, J.; Guevarra, D.; Richter, M.; Fichtner, M.; Donnely, P.; Gregoire, J. M.; Stein, H. S.
2022. Advanced Materials Interfaces, 8 (9), 2101987. doi:10.1002/admi.202101987 VolltextVolltext der Publikation als PDF-Dokument 
One-shot active learning for globally optimal battery electrolyte conductivity
Rahmanian, F.; Vogler, M.; Wölke, C.; Yan, P.; Winter, M.; Cekic-Laskovic, I.; Stein, H. S.
2022. American Chemical Society (ACS). doi:10.26434/chemrxiv-2022-1z8gn VolltextVolltext der Publikation als PDF-Dokument 
Investigation of the Anode-Electrolyte Interface in a Magnesium Full-Cell with Fluorinated Alkoxyborate-Based Electrolyte
Roy, A.; Bhagavathi Parambath, V.; Diemant, T.; Neusser, G.; Kranz, C.; Behm, R. J.; Li, Z.; Zhao-Karger, Z.; Fichtner, M.
2022. Batteries and Supercaps, 5 (4), Art.-Nr.: e202100305. doi:10.1002/batt.202100305 VolltextVolltext der Publikation als PDF-Dokument 
Transport Properties in Electrodes for Lithium-Ion Batteries: Comparison of Compact versus Porous NCM Particles
Schneider, L.; Klemens, J.; Herbst, E. C.; Müller, M.; Scharfer, P.; Schabel, W.; Bauer, W.; Ehrenberg, H.
2022. Journal of The Electrochemical Society, 169 (10), Art.-Nr.: 100553. doi:10.1149/1945-7111/ac9c37 VolltextVolltext der Publikation als PDF-Dokument 
Suitability of Carbazolyl Hauser and Turbo‐Hauser Bases as Magnesium‐Based Electrolytes
Schüler, P.; Sengupta, S.; Zaubitzer, S.; Fiesinger, F.; Dongmo, S.; Görls, H.; Wohlfahrt-Mehrens, M.; Borg, M.; Gaissmaier, D.; Krieck, S.; Marinaro, M.; Jacob, T.; Westerhausen, M.
2022. European Journal of Inorganic Chemistry, 2022 (17), Art.-Nr.: e202200149. doi:10.1002/ejic.202200149 VolltextVolltext der Publikation als PDF-Dokument 
Stability of magnesium binary and ternary compounds for batteries determined from first principles
Sotoudeh, M.; Gross, A.
2022. American Chemical Society (ACS). doi:10.26434/chemrxiv-2022-m90n5 VolltextVolltext der Publikation als PDF-Dokument 
Descriptor and Scaling Relations for Ion Mobility in Crystalline Solids
Sotoudeh, M.; Groß, A.
2022. JACS Au, 2 (2), 463–471. doi:10.1021/jacsau.1c00505 VolltextVolltext der Publikation als PDF-Dokument 
Advancing data-driven chemistry by beating benchmarks
Stein, H. S.
2022. Trends in Chemistry, 4 (8), 682–684. doi:10.1016/j.trechm.2022.05.003 
From materials discovery to system optimization by integrating combinatorial electrochemistry and data science
Stein, H. S.; Sanin, A.; Rahmanian, F.; Zhang, B.; Vogler, M.; Flowers, J. K.; Fischer, L.; Fuchs, S.; Choudhary, N.; Schroeder, L.
2022. Current Opinion in Electrochemistry, 35, Art.-Nr.: 101053. doi:10.1016/j.coelec.2022.101053 
Brokering between tenants for an international materials acceleration platform
Vogler, M.; Busk, J.; Hajiyani, H.; Jørgensen, P. B.; Safaei, N.; Castelli, I.; Ramírez, F. F.; Carlsson, J.; Pizzi, G.; Clark, S.; Hanke, F.; Bhowmik, A.; Stein, H. S.
2022. American Chemical Society (ACS). doi:10.26434/chemrxiv-2022-grgrd VolltextVolltext der Publikation als PDF-Dokument 
P2-type layered high-entropy oxides as sodium-ion cathode materials
Wang, J.; Dreyer, S. L.; Wang, K.; Ding, Z.; Diemant, T.; Karkera, G.; Ma, Y.; Sarkar, A.; Zhou, B.; Gorbunov, M. V.; Omar, A.; Mikhailova, D.; Presser, V.; Fichtner, M.; Hahn, H.; Brezesinski, T.; Breitung, B.; Wang, Q.
2022. Materials Futures, 1 (3), Art.Nr. 035104. doi:10.1088/2752-5724/ac8ab9 VolltextVolltext der Publikation als PDF-Dokument 
A Novel and Highly Efficient Indolyl‐Based Electrolyte for Mg Batteries
Zaubitzer, S.; Dongmo, S.; Schüler, P.; Krieck, S.; Fiesinger, F.; Gaissmaier, D.; van den Borg, M.; Jacob, T.; Westerhausen, M.; Wohlfahrt-Mehrens, M.; Marinaro, M.
2022. Energy Technology, 10 (8), Art.-Nr.: 2200440. doi:10.1002/ente.202200440 
Robotic cell assembly to accelerate battery research
Zhang, B.; Fischer, L.; Sanin, A.; Stein, H. S.
2022. American Chemical Society (ACS). doi:10.26434/chemrxiv-2022-vt2n9 VolltextVolltext der Publikation als PDF-Dokument 
Combined Thermal Runaway Investigation of Coin Cells with an Accelerating Rate Calorimeter and a Tian-Calvet Calorimeter
Zhao, W.; Rohde, M.; Mohsin, I. U.; Ziebert, C.; Du, Y.; Seifert, H. J.
2022. Batteries, 8 (2). doi:10.3390/batteries8020015 VolltextVolltext der Publikation als PDF-Dokument 
Study on Na₂V₀₆₇Mn₀₃₃Ti(PO₄)₃ electrodes with ultralow voltage hysteresis for high performance sodium-ion batteries
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.
2022. Chemical Engineering Journal, 444, Article no: 136608. doi:10.1016/j.cej.2022.136608 
Calcium-tin alloys as anodes for rechargeable non-aqueous calcium-ion batteries at room temperature
Zhao-Karger, Z.; Xiu, Y.; Li, Z.; Reupert, A.; Smok, T.; Fichtner, M.
2022. Nature Communications, 13 (1), 3849. doi:10.1038/s41467-022-31261-z VolltextVolltext der Publikation als PDF-Dokument 

2021

A Self-Conditioned Metalloporphyrin as a Highly Stable Cathode for Fast Rechargeable Magnesium Batteries
Abouzari-Lotf, E.; Azmi, R.; Li, Z.; Shakouri, S.; Chen, Z.; Zhao-Karger, Z.; Klyatskaya, S.; Maibach, J.; Ruben, M.; Fichtner, M.
2021. ChemSusChem, 14 (8), 1840–1846. doi:10.1002/cssc.202100340 VolltextVolltext der Publikation als PDF-Dokument 
Na₃V₂(PO₄)₃ - A Highly Promising Anode and Cathode Material for Sodium-Ion Batteries
Akçay, T.; Häringer, M.; Pfeifer, K.; Anhalt, J.; Binder, J. R.; Dsoke, S.; Kramer, D.; Mönig, R.
2021. ACS applied energy materials, 4 (11), 12688–12695. doi:10.1021/acsaem.1c02413 VolltextVolltext der Publikation als PDF-Dokument 
Molecular Vanadium Oxides for Energy Conversion and Energy Storage: Current Trends and Emerging Opportunities
Anjass, M.; Lowe, G. A.; Streb, C.
2021. Angewandte Chemie / International edition, 60 (14), 7522–7532. doi:10.1002/anie.202010577 VolltextVolltext der Publikation als PDF-Dokument 
A Brief review of supercapacitors as a novel energy storage device
Bahmei, F.; Bahramifar, N.; Ghasemi, S.; Younesi, H.; Weil, M.
2021. Fuel, Elsevier 
Comparative patent analysis for the identification of global research trends for the case of battery storage, hydrogen and bioenergy
Baumann, M.; Domnik, T.; Haase, M.; Wulf, C.; Emmerich, P.; Rösch, C.; Zapp, P.; Naegler, T.; Weil, M.
2021. Technological forecasting and social change, 165, Art.-Nr.: 120505. doi:10.1016/j.techfore.2020.120505 VolltextVolltext der Publikation als PDF-Dokument 
Prospective Life Cycle Assessment of a Model Magnesium Battery
Bautista, S. P.; Weil, M.; Baumann, M.; Tomasini Montenegro, C.
2021. Energy technology, 9 (4), Art.-Nr. 2000964. doi:10.1002/ente.202000964 VolltextVolltext der Publikation als PDF-Dokument 
Density Functional Theory Studies on Sulfur-Polyacrylonitrile as a Cathode Host Material for Lithium-Sulfur Batteries
Bertolini, S.; Jacob, T.
2021. ACS Omega, 6 (14), 9700–9708. doi:10.1021/acsomega.0c06240 VolltextVolltext der Publikation als PDF-Dokument 
Sodium Cyclopentadienide as a New Type of Electrolyte for Sodium Batteries
Binder, M.; Mandl, M.; Zaubitzer, S.; Wohlfahrt-Mehrens, M.; Passerini, S.; Böse, O.; Danzer, M. A.; Marinaro, M.
2021. ChemElectroChem, 8 (2), 365–369. doi:10.1002/celc.202001290 VolltextVolltext der Publikation als PDF-Dokument 
Electrochemical Modeling of Hierarchically Structured Lithium‐Ion Battery Electrodes
Birkholz, O.; Kamlah, M.
2021. Energy technology, 9 (6), Art.-Nr.: 2000910. doi:10.1002/ente.202000910 VolltextVolltext der Publikation als PDF-Dokument 
Theoretical studies on the initial oxidation of metallic lithium anodes
Borg, M. van den; Gaissmaier, D.; Knobbe, E.; Fantauzzi, D.; Jacob, T.
2021. Applied Surface Science, 555, Art.-Nr.: 149447. doi:10.1016/j.apsusc.2021.149447 
Mitigating self-discharge and improving the performance of Mg–S battery in Mg[B(hfip)] electrolyte with a protective interlayer
Bosubabu, D.; Li, Z.; Meng, Z.; Wang, L.-P.; Fichtner, M.; Zhao-Karger, Z.
2021. Journal of materials chemistry / A, 9 (44), 25150–25159. doi:10.1039/D1TA06114C VolltextVolltext der Publikation als PDF-Dokument 
Kadi4Mat : A Research Data Infrastructure for Materials Science
Brandt, N.; Griem, L.; Herrmann, C.; Schoof, E.; Tosato, G.; Zhao, Y.; Zschumme, P.; Selzer, M.
2021. Data science journal, 20 (1), Art.-Nr.: 8. doi:10.5334/dsj-2021-008 VolltextVolltext der Publikation als PDF-Dokument 
UHV preparation and electrochemical/-catalytic properties of well-defined Co– and Fe-containing unary and binary oxide model cathodes for the oxygen reduction and oxygen evolution reaction in Zn-air batteries
Buchner, F.; Fuchs, S.; Behm, R. J.
2021. Journal of electroanalytical chemistry, 896, 115497. doi:10.1016/j.jelechem.2021.115497 
The potential of scanning electrochemical probe microscopy and scanning droplet cells in battery research
Daboss, S.; Rahmanian, F.; Stein, H. S.; Kranz, C.
2021. Electrochemical Science Advances, 2 (4), e2100122. doi:10.1002/elsa.202100122 VolltextVolltext der Publikation als PDF-Dokument 
Multiphase-field modeling of spinodal decomposition during intercalation in an Allen-Cahn framework
Daubner, S.; Kubendran Amos, P. G.; Schoof, E.; Santoki, J.; Schneider, D.; Nestler, B.
2021. Physical review materials, 5 (3), Article no: 035406. doi:10.1103/PhysRevMaterials.5.035406 VolltextVolltext der Publikation als PDF-Dokument 
On the Electrochemical Insertion of Mg2+in Na7V4(P2O7)4(PO4) and Na3V2(PO4)3 Host Materials
Dongmo, S.; Maroni, F.; Gauckler, C.; Marinaro, M.; Wohlfahrt-Mehrens, M.
2021. Journal of the Electrochemical Society, 168 (12), Art. Nr.: 120541. doi:10.1149/1945-7111/ac412b 
Modeling of Electron‐Transfer Kinetics in Magnesium Electrolytes: Influence of the Solvent on the Battery Performance
Drews, J.; Jankowski, P.; Häcker, J.; Li, Z.; Danner, T.; García Lastra, J. M.; Vegge, T.; Wagner, N.; Friedrich, K. A.; Zhao-Karger, Z.; Fichtner, M.; Latz, A.
2021. ChemSusChem, 14 (21), 4820–4835. doi:10.1002/cssc.202101498 VolltextVolltext der Publikation als PDF-Dokument 
An affordable option to Au single crystals through cathodic corrosion of a wire: Fabrication, electrochemical behavior, and applications in electrocatalysis and spectroscopy
Elnagar, M. M.; Hermann, J. M.; Jacob, T.; Kibler, L. A.
2021. Electrochimica acta, 372, 137867. doi:10.1016/j.electacta.2021.137867 
Energy Flow Analysis of Laboratory Scale Lithium-Ion Battery Cell Production
Erakca, M.; Baumann, M.; Bauer, W.; Biasi, L. de; Hofmann, J.; Bold, B.; Weil, M.
2021. iScience, 24 (5), Article: 102437. doi:10.1016/j.isci.2021.102437 VolltextVolltext der Publikation als PDF-Dokument 
Energieflussanalyse der Produktion von Lithium-Ionen Batteriezellen im Labormaßstab mit Vergleich verschiedener Produktionsskalen
Erakca, M.; Baumann, M.; Bauer, W.; Biasi, L. de; Ruhland, J.; Bold, B.; Weil, M.
2021. STORENERGY Congress (2021), Online, 17.–18. November 2021 
Challenges and Pitfalls of Conducting Prospective LCA for Emerging Technologies: The Example of Metal-Free Organic Batteries
Erakca, M.; Weil, M.; Bresser, D.; Bautista, S. P.
2021. 15th Conference Society And Materials (EcoSD 2021), Online, 10.–11. Mai 2021 
Model Studies on the Formation of the Solid Electrolyte Interphase: Reaction of Li with Ultrathin Adsorbed Ionic-Liquid Films and CoO(111) Thin Films
Forster-Tonigold, K.; Kim, J.; Bansmann, J.; Groß, A.; Buchner, F.
2021. ChemPhysChem, 22 (5), 441–454. doi:10.1002/cphc.202001033 VolltextVolltext der Publikation als PDF-Dokument 
In operando study of orthorhombic V₂O₅ as positive electrode materials for K-ion batteries
Fu, Q.; Sarapulova, A.; Zhu, L.; Melinte, G.; Missyul, A.; Welter, E.; Luo, X.; Knapp, M.; Ehrenberg, H.; Dsoke, S.
2021. Journal of Energy Chemistry, 62, 627–636. doi:10.1016/j.jechem.2021.04.027 VolltextVolltext der Publikation als PDF-Dokument 
Electrochemical performance and reaction mechanism investigation of V₂O₅ positive electrode material for aqueous rechargeable zinc batteries
Fu, Q.; Wang, J.; Sarapulova, A.; Zhu, L.; Missyul, A.; Welter, E.; Luo, X.; Ding, Z.; Knapp, M.; Ehrenberg, H.; Dsoke, S.
2021. Journal of materials chemistry / A, 9 (31), 16776–16786. doi:10.1039/D1TA03518E VolltextVolltext der Publikation als PDF-Dokument 
Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework
Greiner, S.; Anjass, M.; Streb, C.
2021. CrystEngComm, 23 (22), 3946–3950. doi:10.1039/d1ce00661d 
Iron-based perovskites-reduced graphene oxide as possible cathode materials for rechargeable iron-ion battery
Hassan, H. K.; Galal, A.; Atta, N. F.; Jacob, T.
2021. Journal of Alloys and Compounds, 870, Art.-Nr.: 159383. doi:10.1016/j.jallcom.2021.159383 
Accelerated Kinetics Revealing Metastable Pathways of Magnesiation-Induced Transformations in MnO Polymorphs
Hatakeyama, T.; Li, H.; Okamoto, N. L.; Shimokawa, K.; Kawaguchi, T.; Tanimura, H.; Imashuku, S.; Fichtner, M.; Ichitsubo, T.
2021. Chemistry of Materials, 33 (17), 6983–6996. doi:10.1021/acs.chemmater.1c02011 VolltextVolltext der Publikation als PDF-Dokument 
Multiphase-field model for surface diffusion and attachment kinetics in the grand-potential framework
Hoffrogge, P. W.; Mukherjee, A.; Nani, E. S.; Amos, P. G. K.; Wang, F.; Schneider, D.; Nestler, B.
2021. Physical review / E, 103 (3), Article no: 033307. doi:10.1103/PhysRevE.103.033307 VolltextVolltext der Publikation als PDF-Dokument 
Comprehensive characterization of propylene carbonate based liquid electrolyte mixtures for sodium-ion cells
Hofmann, A.; Wang, Z.; Bautista, S. P.; Weil, M.; Müller, F.; Löwe, R.; Schneider, L.; Mohsin, I. U.; Hanemann, T.
2021. Electrochimica acta, 403, Art.Nr.: 139670. doi:10.1016/j.electacta.2021.139670 VolltextVolltext der Publikation als PDF-Dokument 
Investigation of Parameters Influencing the Producibility of Anodes for Sodium-Ion Battery Cells
Hofmann, J.; Wurba, A.-K.; Bold, B.; Maliha, S.; Schollmeyer, P.; Fleischer, J.; Klemens, J.; Scharfer, P.; Schabel, W.
2021. Production at the leading edge of technology – Proceedings of the 10th Congress of the German Academic Association for Production Technology (WGP), Dresden, 23-24 September 2020. Ed.: B.-A. Behrens, 171–181, Springer. doi:10.1007/978-3-662-62138-7_18 
Polyoxometalate Modified Separator for Performance Enhancement of Magnesium–Sulfur Batteries
Ji, Y.; Liu-Théato, X.; Xiu, Y.; Indris, S.; Njel, C.; Maibach, J.; Ehrenberg, H.; Fichtner, M.; Zhao-Karger, Z.
2021. Advanced Functional Materials, 31 (26), Art.-Nr.: 2100868. doi:10.1002/adfm.202100868 VolltextVolltext der Publikation als PDF-Dokument 
Online adaptive quantum characterization of a nuclear spin
Joas, T.; Schmitt, S.; Santagati, R.; Gentile, A. A.; Bonato, C.; Laing, A.; McGuinness, L. P.; Jelezko, F.
2021. npj Quantum information, 7 (1), 56. doi:10.1038/s41534-021-00389-z VolltextVolltext der Publikation als PDF-Dokument 
Performance Study of MXene/Carbon Nanotube Composites for Current Collector‐ and Binder‐Free Mg–S Batteries
Kaland, H.; Håskjold Fagerli, F.; Hadler-Jacobsen, J.; Zhao-Karger, Z.; Fichtner, M.; Wiik, K.; Wagner, N. P.
2021. ChemSusChem, 14 (8), 1864–1873. doi:10.1002/cssc.202100173 VolltextVolltext der Publikation als PDF-Dokument 
Recent developments and future perspectives of anionic batteries
Karkera, G.; Reddy, M. A.; Fichtner, M.
2021. Journal of power sources, 481, Art.-Nr. 228877. doi:10.1016/j.jpowsour.2020.228877 
Establishing a Stable Anode–Electrolyte Interface in Mg Batteries by Electrolyte Additive
Li, Z.; Diemant, T.; Meng, Z.; Xiu, Y.; Reupert, A.; Wang, L.; Fichtner, M.; Zhao-Karger, Z.
2021. ACS applied materials & interfaces, 13 (28), 33123–33132. doi:10.1021/acsami.1c08476 VolltextVolltext der Publikation als PDF-Dokument 
Simulating mechanical wave propagation within the framework of phase-field modelling
Liu, X.; Schneider, D.; Daubner, S.; Nestler, B.
2021. Computer methods in applied mechanics and engineering, 381, Article: 113842. doi:10.1016/j.cma.2021.113842 
Self-Standing, Collector-Free Maricite NaFePO4 / Carbon Nanofiber Cathode Endowed with Increasing Electrochemical Activity
Liu-Théato, X.; Indris, S.; Hua, W.; Li, H.; Knapp, M.; Melinte, G.; Ehrenberg, H.
2021. Energy & fuels, 35 (22), 18768–18777. doi:10.1021/acs.energyfuels.1c02779 VolltextVolltext der Publikation als PDF-Dokument 
Poly(ionic liquid) Based Composite Electrolytes for Lithium Ion Batteries
Löwe, R.; Hanemann, T.; Zinkevich, T.; Hofmann, A.
2021. Polymers, 13 (24), Article no: 4469. doi:10.3390/polym13244469 VolltextVolltext der Publikation als PDF-Dokument 
An Alternative Charge-Storage Mechanism for High-Performance Sodium-Ion and Potassium-Ion Anodes
Ma, Y.; Ma, Y.; Euchner, H.; Liu, X.; Zhang, H.; Qin, B.; Geiger, D.; Biskupek, J.; Carlsson, A.; Kaiser, U.; Groß, A.; Indris, S.; Passerini, S.; Bresser, D.
2021. ACS Energy Letters, 6 (3), 915–924. doi:10.1021/acsenergylett.0c02365 
Perspective on ultramicroporous carbon as sulphur host for Li–S batteries
Maria Joseph, H.; Fichtner, M.; Munnangi, A. R.
2021. Journal of Energy Chemistry, 59, 242–256. doi:10.1016/j.jechem.2020.11.001 
Through the Maze of Multivalent‐ion Batteries: A Critical Review on the status of the research on cathode materials for Mg2+ and Ca2+ ions insertion
Maroni, F.; Dongmo, S.; Gauckler, C.; Marinaro, M.; Wolfahrt-Mehrens, M.
2021. Batteries & supercaps, 4 (8), 1221–1251. doi:10.1002/batt.202000330 
Surface Engineering of a Mg Electrode via a New Additive to Reduce Overpotential
Meng, Z.; Li, Z.; Wang, L.; Diemant, T.; Bosubabu, D.; Tang, Y.; Berthelot, R.; Zhao-Karger, Z.; Fichtner, M.
2021. ACS applied materials & interfaces, 13 (31), 37044–37051. doi:10.1021/acsami.1c07648 VolltextVolltext der Publikation als PDF-Dokument 
Comprehensive Electrochemical, Calorimetric Heat Generation and Safety Analysis of NaMnO Cathode Material in Coin Cells
Mohsin, I. U.; Ziebert, C.; Rohde, M.; Seifert, H. J.
2021. Journal of the Electrochemical Society, 168 (5), Art.-Nr. 050544. doi:10.1149/1945-7111/ac0176 VolltextVolltext der Publikation als PDF-Dokument 
Thermophysical Characterization of a Layered P2 Type Structure Na₀.₅₃MnO₂Cathode Material for Sodium Ion Batteries
Mohsin, I. U.; Ziebert, C.; Rohde, M.; Seifert, H. J.
2021. Batteries, 7 (1), Article no: 16. doi:10.3390/batteries7010016 VolltextVolltext der Publikation als PDF-Dokument 
The metamorphosis of rechargeable magnesium batteries
Mohtadi, R.; Tutusaus, O.; Arthur, T. S.; Zhao-Karger, Z.; Fichtner, M.
2021. Joule, 5 (3), 581–617. doi:10.1016/j.joule.2020.12.021 
Synthesis and characterization of Ca(₁₋ₓ)SmₓF(₂₊ₓ) (0 ≤ x ≤ 0.15) solid electrolytes for fluoride-ion batteries
Molaiyan, P.; Witter, R.
2021. Material design & processing communications, 3 (5), Art.Nr. e226. doi:10.1002/mdp2.226 VolltextVolltext der Publikation als PDF-Dokument 
Structural evolution of a PtRu catalyst in the oxidation of an organic molecule
Mueller, J. E.; Hoffmannová, H.; Hiratoko, T.; Krtil, P.; Jacob, T.
2021. Journal of Catalysis, 398, 89–101. doi:10.1016/j.jcat.2021.04.001 
CoTiOPO@C as new negative electrode for sodium ion batteries: Synthesis, characterization, and elucidation of the electrochemical mechanism using in operando synchrotron diffraction
Nassiri, A.; Sabi, N.; Sarapulova, A.; Indris, S.; Mangold, S.; Ehrenberg, H.; Saadoune, I.
2021. Journal of Power Sources, 498, Art.-Nr.: 229924. doi:10.1016/j.jpowsour.2021.229924 
Structure-Property Relation of Trimethyl Ammonium Ionic Liquids for Battery Applications
Rauber, D.; Hofmann, A.; Philippi, F.; Kay, C. W. M.; Zinkevich, T.; Hanemann, T.; Hempelmann, R.
2021. Applied Sciences, 11 (12), 5679. doi:10.3390/app11125679 VolltextVolltext der Publikation als PDF-Dokument 
Phase-field formulation of a fictitious domain method for particulate flows interacting with complex and evolving geometries
Reder, M.; Schneider, D.; Wang, F.; Daubner, S.; Nestler, B.
2021. International Journal for Numerical Methods in Fluids, 93 (8), 2486–2507. doi:10.1002/fld.4984 VolltextVolltext der Publikation als PDF-Dokument 
Degradation Effects in Metal-Sulfur Batteries
Richter, R.; Häcker, J.; Zhao-Karger, Z.; Danner, T.; Wagner, N.; Fichtner, M.; Friedrich, K. A.; Latz, A.
2021. ACS Applied Energy Materials, 4 (3), 2365–2376. doi:10.1021/acsaem.0c02888 
Ionic and Thermal Transport in Na-Ion-Conducting Ceramic Electrolytes
Rohde, M.; Mohsin, I. U. I.; Ziebert, C.; Seifert, H. J.
2021. International journal of thermophysics, 42 (10), Art.-Nr.: 136. doi:10.1007/s10765-021-02886-x VolltextVolltext der Publikation als PDF-Dokument 
Investigation of “NaCoTiO” as a multi-phase positive electrode material for sodium batteries
Sabi, N.; Sarapulova, A.; Indris, S.; Dsoke, S.; Trouillet, V.; Mereacre, L.; Ehrenberg, H.; Saadoune, I.
2021. Journal of power sources, 481, Article: 229120. doi:10.1016/j.jpowsour.2020.229120 
Effect of tortuosity, porosity, and particle size on phase-separation dynamics of ellipsoid-like particles of porous electrodes: Cahn-Hilliard-type phase-field simulations
Santoki, J.; Daubner, S.; Schneider, D.; Kamlah, M.; Nestler, B.
2021. Modelling and simulation in materials science and engineering, 29 (6), Art.Nr. 065010. doi:10.1088/1361-651X/ac11bc 
Effect of conductivity on the electromigration-induced morphological evolution of islands with high symmetries of surface diffusional anisotropy
Santoki, J.; Mukherjee, A.; Schneider, D.; Nestler, B.
2021. Journal of applied physics, 129 (2), Ar. Nr.: 025110. doi:10.1063/5.0033228 VolltextVolltext der Publikation als PDF-Dokument 
Mechanism of Magnesium Transport in Spinel Chalcogenides
Sotoudeh, M.; Dillenz, M.; Groß, A.
2021. Advanced Energy and Sustainability Research, 2 (12), Article no: 2100113. doi:10.1002/aesr.202100113 VolltextVolltext der Publikation als PDF-Dokument 
Phase-sensitive quantum spectroscopy with high-frequency resolution
Staudenmaier, N.; Schmitt, S.; McGuinness, L. P.; Jelezko, F.
2021. Physical Review A, 104 (2), Art.-Nr.: L020602. doi:10.1103/PhysRevA.104.L020602 
High Entropy and Low Symmetry: Triclinic High-Entropy Molybdates
Stenzel, D.; Issac, I.; Wang, K.; Azmi, R.; Singh, R.; Jeong, J.; Najib, S.; Bhattacharya, S. S.; Hahn, H.; Brezesinski, T.; Schweidler, S.; Breitung, B.
2021. Inorganic chemistry, 60 (1), 115–123. doi:10.1021/acs.inorgchem.0c02501 VolltextVolltext der Publikation als PDF-Dokument 
ZnS nanoparticles embedded in N-doped porous carbon xerogel as electrode materials for sodium-ion batteries
Tian, G.; Song, Y.; Luo, X.; Zhao, Z.; Han, F.; Chen, J.; Huang, H.; Tang, N.; Dsoke, S.
2021. Journal of alloys and compounds, 877, Art.-Nr.: 160299. doi:10.1016/j.jallcom.2021.160299 
Environmental assessment of a new generation battery: The magnesium-sulfur system
Tomasini Montenegro, C.; Peters, J. F.; Baumann, M.; Zhao-Karger, Z.; Wolter, C.; Weil, M.
2021. Journal of energy storage, 35, 102053. doi:10.1016/j.est.2020.102053 
Preparation of intergrown P/O-type biphasic layered oxides as high-performance cathodes for sodium ion batteries
Wang, K.; Wu, Z.-G.; Melinte, G.; Yang, Z.-G.; Sarkar, A.; Hua, W.; Mu, X.; Yin, Z.-W.; Li, J.-T.; Guo, X.-D.; Zhong, B.-H.; Kübel, C.
2021. Journal of Materials Chemistry A, 9 (22), 13151–13160. doi:10.1039/d1ta00627d VolltextVolltext der Publikation als PDF-Dokument 
Influence of Complexing Additives on the Reversible Deposition/Dissolution of Magnesium in an Ionic Liquid
Weber, I.; Ingenmey, J.; Schnaidt, J.; Kirchner, B.; Behm, R. J.
2021. ChemElectroChem, 8 (2), 390–402. doi:10.1002/celc.202001488 VolltextVolltext der Publikation als PDF-Dokument 
Lebenszyklusorientierte Nachhaltigkeits-Analysen emergenter Energietechnologien Beispiel: Gegenwärtige und zukünftige Batteriesysteme
Weil, M.
2021. KIT-Business-Club (2021), Karlsruhe, Deutschland, 23. November 2021 
Prospective sustainability analysis of present and future battery systems
Weil, M.; Baumann, M.; Peters, J.; Erakca, M.; Ersoy, H.; Jasper, F.; Liu, H.; Bautista, S.
2021. Cambridge University Energy Technology Society : Term Cards - Michaelmas (CUETS 2021), Cambridge, Vereinigtes Königreich, 9. November 2021 
Recycling von Li-Ionen Batterien – Heute und Morgen
Weil, M.; Erakca, M.; Peters, J.; Baumann, M.; Bautista, S.; Liu, H.; Ersoy, H.; Mandade, P.; Yang, J.; Jasper, F.; Emmerich, P.; Grunwald, A.
2021. STORENERGY Congress (2021), Online, 17.–18. November 2021 
Recycling of Different Battery Types: A First LCA-Based Sustainability Perspective
Weil, M.; Peters, J.; Baumann, M.; Erakca, M.; Bautista, S.; Liu, H.; Ersoy, H.
2021. 11th Advanced automotive battery conference Europe (AABC 2021 2021), Online, 19.–20. Januar 2021 
Batteries Europe - Task Force SUSTAINABILITY POSITION PAPER
Wiesner, E.; Bardé, F.; Weil, M.; Borbujo, Y. C.; Edström, K.; Kiuru, J.; Rizo-Martin, J.; Metz, P. de; Pettit, C.; Poliscanova, J.; Ramon, N. G.; Santos, C.
2021. Sustainability Task Force 
Nanodiamond Theranostic for Light-Controlled Intracellular Heating and Nanoscale Temperature Sensing
Wu, Y.; Alam, M. N. A.; Balasubramanian, P.; Ermakova, A.; Fischer, S.; Barth, H.; Wagner, M.; Raabe, M.; Jelezko, F.; Weil, T.
2021. Nano letters, 21 (9), 3780–3788. doi:10.1021/acs.nanolett.1c00043 VolltextVolltext der Publikation als PDF-Dokument 
Enhanced Potassium Storage Capability of Two-Dimensional Transition-Metal Chalcogenides Enabled by a Collective Strategy
Wu, Y.; Zhang, Q.; Xu, Y.; Xu, R.; Li, L.; Li, Y.; Zhang, C.; Zhao, H.; Wang, S.; Kaiser, U.; Lei, Y.
2021. ACS applied materials & interfaces, 13 (16), 18838–18848. doi:10.1021/acsami.1c01891 
Microstructure evolution and intermediate phase-induced varying solubility limits and stress reduction behavior in sodium ion batteries particles of NaᵪFePO (0< <1 )
Zhang, T.; Kamlah, M.
2021. Journal of power sources, 483, Article: 229187. doi:10.1016/j.jpowsour.2020.229187 VolltextVolltext der Publikation als PDF-Dokument 

2020

Nanoscale Dynamic Readout of a Chemical Redox Process Using Radicals Coupled with Nitrogen-Vacancy Centers in Nanodiamonds
Barton, J.; Gulka, M.; Tarabek, J.; Mindarava, Y.; Wang, Z.; Schimer, J.; Raabova, H.; Bednar, J.; Plenio, M. B.; Jelezko, F.; Nesladek, M.; Cigler, P.
2020. ACS Nano, 14 (10), 12938–12950. doi:10.1021/acsnano.0c04010 
Exploratory multi-criteria decision analysis of utility-scale battery storage technologies for multiple grid services based on life cycle approaches
Baumann, M.; Peters, J.; Weil, M.
2020. Energy technology, 8 (11), Art.Nr. 1901019. doi:10.1002/ente.201901019 Full textFull text of the publication as PDF document 
ORR and OER on Ni-modified Co3O4(111) Cathodes for Zn-Air Batteries - A Combined Surface Science and Electrochemical Model Study
Behm, R. J.; Buchner, F.; Eckardt, M.; Böhler, T.; Kim, J.; Gerlach, J.; Schnaidt, J.
2020. ChemSusChem, 13 (12), 3199–3211. doi:10.1002/cssc.202000503 Full textFull text of the publication as PDF document 
Investigation on the formation of Mg metal anode/electrolyte interfaces in Mg/S batteries with electrolyte additives
Bhaghavathi Parambath, V.; Zhao-Karger, Z.; Diemant, T.; Jäckle, M.; Li, Z.; Scherer, T.; Gross, A.; Behm, R. J.; Fichtner, M.
2020. Journal of materials chemistry / A, 8 (43), 22998–23010. doi:10.1039/d0ta05762b 
Exploring the Structure–Activity Relationship on Platinum Nanoparticles
Braunwarth, L.; Jung, C.; Jacob, T.
2020. Topics in catalysis, 63, 1647–1657. doi:10.1007/s11244-020-01324-w Full textFull text of the publication as PDF document 
Screening of Charge Carrier Migration in the MgScSe Spinel Structure
Dillenz, M.; Sotoudeh, M.; Euchner, H.; Groß, A.
2020. Frontiers in energy research, 8, Article no: 584654. doi:10.3389/fenrg.2020.584654 Full textFull text of the publication as PDF document 
Stripping and Plating a Magnesium Metal Anode in Bromide‐Based Non‐Nucleophilic Electrolytes
Dongmo, S.; Zaubitzer, S.; Schüler, P.; Krieck, S.; Jörissen, L.; Wohlfahrt-Mehrens, M.; Westerhausen, M.; Marinaro, M.
2020. ChemSusChem, 13 (13), 3530–3538. doi:10.1002/cssc.202000249 
Modeling of Ion Agglomeration in Magnesium Electrolytes and its Impacts on Battery Performance
Drews, J.; Danner, T.; Jankowski, P.; Vegge, T.; García Lastra, J. M.; Liu, R.; Zhao-Karger, Z.; Fichtner, M.; Latz, A.
2020. ChemSusChem, 13 (14), 3599–3604. doi:10.1002/cssc.202001034 Full textFull text of the publication as PDF document 
Influence of Additives on the Reversible Oxygen Reduction Reaction/Oxygen Evolution Reaction in the Mg²⁺‐Containing Ionic Liquid N ‐Butyl‐N ‐Methylpyrrolidinium Bis(Trifluoromethanesulfonyl)imide
Eckardt, M.; Alwast, D.; Schnaidt, J.; Behm, R. J.
2020. ChemSusChem, 13 (15), 3919–3927. doi:10.1002/cssc.202000672 Full textFull text of the publication as PDF document 
Controlled-Atmosphere Flame Fusion Growth of Nickel Poly-oriented Spherical Single Crystals—Unraveling Decades of Impossibility
Esau, D.; Schuett, F. M.; Varvaris, K. L.; Björk, J.; Jacob, T.; Jerkiewicz, G.
2020. Electrocatalysis, 11 (1), 1–13. doi:10.1007/s12678-019-00575-w 
First results from in situ transmission electron microscopy studies of all-solid-state fluoride ion batteries
Fawey, M. H.; Chakravadhanula, V. S. K.; Munnangi, A. R.; Rongeat, C.; Hahn, H.; Fichtner, M.; Kübel, C.
2020. Journal of power sources, 466, Article: 228283. doi:10.1016/j.jpowsour.2020.228283 
Magnesium Batteries: Research and Applications
Fichtner, M.
2020. Royal Society of Chemistry (RSC). doi:10.1039/9781788016407 
Microscopic Properties of Na and Li—A First Principle Study of Metal Battery Anode Materials
Gaissmaier, D.; Borg, M.; Fantauzzi, D.; Jacob, T.
2020. ChemSusChem, 13 (4), 771–783. doi:10.1002/cssc.201902860 Full textFull text of the publication as PDF document 
Phase transformation, charge transfer, and ionic diffusion of NaMnV(PO) in sodium-ion batteries: a combined first-principles and experimental study
Gao, X.; Lian, R.; He, L.; Fu, Q.; Indris, S.; Schwarz, B.; Wang, X.; Chen, G.; Ehrenberg, H.; Wei, Y.
2020. Journal of materials chemistry / A, 8 (34), 17477–17486. doi:10.1039/d0ta05929c 
Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors
Heere, M.; Hansen, A.-L.; Payandeh, S. H.; Aslan, N.; Gizer, G.; Sørby, M. H.; Hauback, B. C.; Pistidda, C.; Dornheim, M.; Lohstroh, W.
2020. Scientific reports, 10 (1), Article No. 9080. doi:10.1038/s41598-020-65857-6 Full textFull text of the publication as PDF document 
Investigation of N and S Co-doped Porous Carbon for Sodium-Ion Battery, Synthesized by Using Ammonium Sulphate for Simultaneous Activation and Heteroatom Doping
Ikram, S.; Dsoke, S.; Sarapulova, A.; Müller, M.; Rana, U. A.; Siddiqi, H. M.
2020. Journal of the Electrochemical Society, 167 (10), Article: 100531. doi:10.1149/1945-7111/ab9a01 
Inactive materials matter: How binder amounts affect the cycle life of graphite electrodes in potassium-ion batteries
Jeschull, F.; Maibach, J.
2020. Electrochemistry communications, 121, Art.-Nr. 106874. doi:10.1016/j.elecom.2020.106874 Full textFull text of the publication as PDF document 
Properties and Structural Arrangements of the Electrode Material CuDEPP during Energy Storage
Jung, C. K.; Stottmeister, D.; Jacob, T.
2020. Energy technology, 8 (9), Art.Nr. 2000388. doi:10.1002/ente.202000388 Full textFull text of the publication as PDF document 
Environmental Sustainability Assessment of Multi-Sectoral Energy Transformation Pathways: Methodological Approach and Case Study for Germany
Junne, T.; Simon, S.; Buchgeister, J.; Saiger, M.; Baumann, M.; Haase, M.; Wulf, C.; Naegler, T.
2020. Sustainability, 12 (19), Art.-Nr. 8225. doi:10.3390/su12198225 Full textFull text of the publication as PDF document 
Interaction between Li, Ultrathin Adsorbed Ethylene Carbonate Films, and CoO(111) Thin Films: A Model Study of the Solid Electrolyte Interphase Formation at CoO Anodes
Kim, J.; Buchner, F.; Behm, R. J.
2020. The journal of physical chemistry <Washington, DC> / C, 124 (39), 21476–21490. doi:10.1021/acs.jpcc.0c06015 
Rechargeable Calcium–Sulfur Batteries Enabled by an Efficient Borate-Based Electrolyte
Li, Z.; Vinayan, B. P.; Diemant, T.; Behm, R. J.; Fichtner, M.; Zhao-Karger, Z.
2020. Small, 16 (39), Art.-Nr.: 2001806. doi:10.1002/smll.202001806 Full textFull text of the publication as PDF document 
Multi‐Electron Reactions enabled by Anion‐Based Redox Chemistry for High‐Energy Multivalent Rechargeable Batteries
Li, Z.; Vinayan, B. P.; Jankowski, P.; Njel, C.; Roy, A.; Vegge, T.; Maibach, J.; Lastra, J. M. G.; Fichtner, M.; Zhao-Karger, Z.
2020. Angewandte Chemie / International edition, 59 (28), 11483–11490. doi:10.1002/anie.202002560 Full textFull text of the publication as PDF document 
Entropy Changes upon Double Layer Charging at a (111)-Textured Au Film in Pure 1-Butyl-1-Methylpyrrolidinium Bis[(trifluoromethyl)sulfonyl]imide Ionic Liquid
Lindner, J.; Weick, F.; Endres, F.; Schuster, R.
2020. The journal of physical chemistry <Washington, DC> / C, 124 (1), 693–700. doi:10.1021/acs.jpcc.9b09871 Full textFull text of the publication as PDF document 
In situ Observation of Sodium Dendrite Growth and Concurrent Mechanical Property Measurements Using an Environmental Transmission Electron Microscopy–Atomic Force Microscopy (ETEM-AFM) Platform
Liu, Q.; Zhang, L.; Sun, H.; Geng, L.; Li, Y.; Tang, Y.; Jia, P.; Wang, Z.; Dai, Q.; Shen, T.; Tang, Y.; Zhu, T.; Huang, J.
2020. ACS energy letters, 5 (8), 2546–2559. doi:10.1021/acsenergylett.0c01214 Full textFull text of the publication as PDF document 
A 3d-printed composite electrode for sustained electrocatalytic oxygen evolution
Liu, S.; Liu, R.; Gao, D.; Trentin, I.; Streb, C.
2020. Chemical communications, 56 (60), 8476–8479. doi:10.1039/D0CC03579C 
Copper Porphyrin as a Stable Cathode for High‐Performance Rechargeable Potassium Organic Batteries
Lv, S.; Yuan, J.; Chen, Z.; Gao, P.; Shu, H.; Yang, X.; Liu, E.; Tan, S.; Ruben, M.; Zhao-Karger, Z.; Fichtner, M.
2020. ChemSusChem, 13 (9), 2286–2294. doi:10.1002/cssc.202000425 
Molecular Scylla and Charybdis: Maneuvering between pH Sensitivity and Excited-State Localization in Ruthenium Bi(benz)imidazole Complexes
Mengele, A. K.; Müller, C.; Nauroozi, D.; Kupfer, S.; Dietzek, B.; Rau, S.
2020. Inorganic chemistry, 59 (17), 12097–12110. doi:10.1021/acs.inorgchem.0c01022 
Toward a cell-chemistry specific life cycle assessment of lithium-ion battery recycling processes
Mohr, M.; Peters, J. F.; Baumann, M.; Weil, M.
2020. Journal of industrial ecology, 24 (6), 1310–1322. doi:10.1111/jiec.13021 Full textFull text of the publication as PDF document 
Electrochemical Performance of Carbon Modified LiNiPO as Li-Ion Battery Cathode: A Combined Experimental and Theoretical Study
Nasir, M. H.; Janjua, N. K.; Santoki, J.
2020. Journal of the Electrochemical Society, 167 (13), 130526. doi:10.1149/1945-7111/abb83d Full textFull text of the publication as PDF document 
Benchmark for Synthesized Diamond Sensors Based on Isotopically Engineered Nitrogen‐Vacancy Spin Ensembles for Magnetometry Applications
Osterkamp, C.; Balasubramanian, P.; Wolff, G.; Teraji, T.; Nesladek, M.; Jelezko, F.
2020. Advanced Quantum Technologies, 3 (9), Art.-Nr.: 2000074. doi:10.1002/qute.202000074 Full textFull text of the publication as PDF document 
Understanding the mechanism of byproduct formation within operandosynchrotron techniques and its effects on the electrochemical performance of VO(B) nanoflakes in aqueous rechargeable zinc batteries
Pang, Q.; Zhao, H.; Lian, R.; Fu, Q.; Wei, Y.; Sarapulova, A.; Sun, J.; Wang, C.; Chen, G.; Ehrenberg, H.
2020. Journal of materials chemistry / A, 8 (19), 9567–9578. doi:10.1039/d0ta00858c 
New maximally disordered – High entropy intermetallic phases (MD-HEIP) of the GdLaSnSbM (M=Li, Na, Mg): Synthesis, structure and some properties
Pavlyuk, V.; Balińska, A.; Rożdżyńska-Kiełbik, B.; Pavlyuk, N.; Dmytriv, G.; Stetskiv, A.; Indris, S.; Schwarz, B.; Ehrenberg, H.
2020. Journal of alloys and compounds, 838, Art. Nr.: 155643. doi:10.1016/j.jallcom.2020.155643 
Choosing the right carbon additive is of vital importance for high-performance Sb-based Na-ion batteries
Pfeifer, K.; Arnold, S.; Budak, Ö.; Luo, X.; Presser, V.; Ehrenberg, H.; Dsoke, S.
2020. Journal of materials chemistry / A, 2020 (8), 6092–6104. doi:10.1039/D0TA00254B Full textFull text of the publication as PDF document 
The Interaction Between Electrolytes and Sb2O3–based Electrodes in Sodium Batteries: Uncovering Detrimental Effects of Diglyme
Pfeifer, K.; Greenstein, M. F.; Aurbach, D.; Luo, X.; Ehrenberg, H.; Dsoke, S.
2020. ChemElectroChem, 7 (16), 3487–3495. doi:10.1002/celc.202000894 Full textFull text of the publication as PDF document 
Controlled‐Atmosphere Flame Fusion Single‐Crystal Growth of Non‐Noble fcc, hcp, and bcc Metals Using Copper, Cobalt, and Iron
Schuett, F. M.; Esau, D.; Varvaris, K. L.; Gelman, S.; Björk, J.; Rosen, J.; Jerkiewicz, G.; Jacob, T.
2020. Angewandte Chemie / International edition, 59 (32), 13246–13252. doi:10.1002/anie.201915389 Full textFull text of the publication as PDF document 
Strain Dependence of Metal Anode Surface Properties
Stottmeister, D.; Groß, A.
2020. ChemSusChem, 13 (12), 3147–3153. doi:10.1002/cssc.202000709 Full textFull text of the publication as PDF document 
Surface Science and Electrochemical Model Studies on the Interaction of Graphite and Li‐Containing Ionic Liquids
Weber, I.; Kim, J.; Buchner, F.; Schnaidt, J.; Behm, R. J.
2020. ChemSusChem, 13 (10), 2589–2601. doi:10.1002/cssc.202000495 Full textFull text of the publication as PDF document 
A digital workflow for learning the reduced-order structure-property linkages for permeability of porous membranes
Yabansu, Y. C.; Altschuh, P.; Hötzer, J.; Selzer, M.; Nestler, B.; Kalidindi, S. R.
2020. Acta materialia, 195, 668–680. doi:10.1016/j.actamat.2020.06.003 
Probing the Effect of Titanium Substitution on the Sodium Storage in Na₃Ni₂BiO₆ Honeycomb-Type Structure
Zemlyanushin, E.; Pfeifer, K.; Sarapulova, A.; Etter, M.; Ehrenberg, H.; Dsoke, S.
2020. Energies, 13 (24), Article: 6498. doi:10.3390/en13246498 Full textFull text of the publication as PDF document 
Mechanically Coupled Phase-Field Modeling of Microstructure Evolution in Sodium Ion Batteries Particles of NaₓFePO₄
Zhang, T.; Kamlah, M.
2020. Journal of the Electrochemical Society, 167 (2), Art. Nr.: 020508. doi:10.1149/1945-7111/ab645a Full textFull text of the publication as PDF document 
Heat Generation in NMC622 Coin Cells during Electrochemical Cycling: Separation of Reversible and Irreversible Heat Effects
Zhao, W.; Rohde, M.; Mohsin, I. U.; Ziebert, C.; Seifert, H. J.
2020. Batteries, 6 (4), Article: 55. doi:10.3390/batteries6040055 Full textFull text of the publication as PDF document 

 

2019

Modeling the effective conductivity of the solid and the pore phase in granular materials using resistor networks
Birkholz, O.; Gan, Y.; Kamlah, M.
2019. Powder technology, 351, 54–65. doi:10.1016/j.powtec.2019.04.005 
Interaction between Li, Ultrathin Adsorbed Ionic Liquid Films, and CoO(111) Thin Films: A Model Study of the Solid|Electrolyte Interphase Formation
Buchner, F.; Forster-Tonigold, K.; Kim, J.; Bansmann, J.; Groß, A.; Behm, R. J.
2019. Chemistry of materials, 31 (15), 5537–5549. doi:10.1021/acs.chemmater.9b01253 
A Lithium‐Free Energy‐Storage Device Based on an Alkyne‐Substituted‐Porphyrin Complex
Chen, Z.; Gao, P.; Wang, W.; Klyatskaya, S.; Zhao-Karger, Z.; Wang, D.; Kübel, C.; Fuhr, O.; Fichtner, M.; Ruben, M.
2019. ChemSusChem, 12 (16), 3737–3741. doi:10.1002/CSSC.201901541 Full textFull text of the publication as PDF document 
Difference in Electrochemical Mechanism of SnO₂ Conversion in Lithium-Ion and Sodium-Ion Batteries: Combined in Operando and Ex Situ XAS Investigations
Dixon, D.; Ávila, M.; Ehrenberg, H.; Bhaskar, A.
2019. ACS omega, 4 (6), 9731–9738. doi:10.1021/acsomega.9b00563 Full textFull text of the publication as PDF document 
Exploits, advances and challenges benefiting beyond Li-ion battery technologies
El Kharbachi, A.; Zavorotynska, O.; Latroche, M.; Cuevas, F.; Yartys, V.; Fichtner, M.
2019. Journal of alloys and compounds, 817, Article no: 153261. doi:10.1016/j.jallcom.2019.153261 
Influence of electric fields on metal self-diffusion barriers and its consequences on dendrite growth in batteries
Jäckle, M.; Groß, A.
2019. The journal of chemical physics, 151 (23), Article no: 234707. doi:10.1063/1.5133429 
Surface chemistry and electrochemistry of an ionic liquid and lithium on Li₄Ti₅O₁₂(111) - A model study of the anode|electrolyte interface
Kim, J.; Weber, I.; Buchner, F.; Schnaidt, J.; Behm, R. J.
2019. The journal of chemical physics, 151 (13), Article no: 134704. doi:10.1063/1.5119765 
Hetero-layered MoS/C composites enabling ultrafast and durable Na storage
Li, Z.; Liu, S.; Vinayan, B. P.; Zhao-Karger, Z.; Diemant, T.; Wang, K.; Behm, R. J.; Kübel, C.; Klingeler, R.; Fichtner, M.
2019. Energy storage materials, 21, 115–123. doi:10.1016/j.ensm.2019.05.042 
Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries
Li, Z.; Fuhr, O.; Fichtner, M.; Zhao-Karger, Z.
2019. Energy & environmental science, 12 (12), 3496–3501. doi:10.1039/c9ee01699f Full textFull text of the publication as PDF document