Publikationen
Veröffentlichungen der Arbeitsgruppe Mollenhauer
Publikationen mit Peer-Review
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2025
- J. Tschakert, Q. Zhong, A. Sekels, P. Henkel, J. Jung, K. L. H. Pohl, H. A. Wegner, D. Mollenhauer, A. Schirmeisen, D. Ebeling Probing weak chemical interactions of metal surface atoms with CO-terminated AFM tips identifies molecular adsorption sitesExterner Link Nat. Commun. 2025, 16, 7874 (doi: 10.1038/s41467-025-63159-x)
- K. Wang, D. Mollenhauer First-Principles Studies on the Structure and Stability of the Solid Electrolyte Interphase with LiPON in Solid-State BatteriesExterner Link J. Phys. Chem. C 2025, 129 (29), 13160-13168 (doi: 10.1021/acs.jpcc.5c01201)
- X. Fataj, A. J. Achazi, C. Stolze, S. Muench, R. Burges, I. Anufriev, M. Mignon, D. Mollenhauer, I. Nischang, M. D. Hager, U. S. Schubert Pyridinium-Benzoxazole-Based Anode Material for Sustainable All-Organic Polymer-Based BatteriesExterner Link ACS Appl. Energy Mater. 2025, 8 (7), 4220-4230 (doi: 10.1021/acsaem.4c03127)
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2024
- D. S. Pietruschka, A. Zaichenko, M. Richter, S. Gräfe, D. Mollenhauer From lithium and sodium superoxides to singlet-oxygen – insights into the mechanism of dissociation using SHARC-MDExterner Link ChemPhysChem 2024, 25, e202400216 (doi: 10.1002/cphc.202400216)
- S. Schwan, B. Klee, N. Rinn, P. R. Schreiner, S. Dehnen, W.-C. Pilgrim, D. Mollenhauer Theoretical investigations and comparisons of the amorphous structures of adamantane-like cluster materials with molecular dynamics simulationsExterner Link J. Chem. Theory Comput. 2024 20 (17), 7586-7596 (doi: 10.1021/acs.jctc.4c00196)
- R. Maile, W. Zhixuan, A. J. Achazi, K. Wang, P. Henkel, D. Mollenhauer, J. Janek, K. Müller-Buschbaum Dualism of Remarkable Magnesium Ion Conduction with Low Activation Energy Over a Wide Temperature Range vs. Limited Stability of the Hybrid Composite Electrolyte Mg-MOF-74/MgX2/Propylene CarbonateExterner Link Adv. Energy Sustainability Res. 2024, 2300288 (doi: 10.1002/aesr.202300288)
- K. Wang, J. Janek, D. Mollenhauer Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and ReconfigurationExterner Link Chem. Mater. 2024, 36, 10, 5133 (doi: 10.1021/acs.chemmater.4c00377) Inside Cover ImageExterner Link
- P. Godermajer, A. J. Achazi , D. Mollenhauer, A. Seifert, M. Sommer Degradable bispiperidone derivative amine networks with monomer recoveryExterner Link Polym. Chem. 2024, 15, 1427 (doi: 10.1039/d4py00025k)
- P. Henkel, K. L. H. Pohl, D. Mollenhauer Influence of the Coinage Metal(111) Surface on the Orientation of the σ Hole and the Halogen Bonding Strength of Bromo/IodobenzeneExterner Link J. Phys. Chem. C 2024, 128, 14, 5848 (doi: 10.1021/acs.jpcc.3c07555)
- Q. Zhong, J. Jung, D. Kohrs, A. Kaczmarek, D. Ebeling, D. Mollenhauer, H. A. Wegner, A. Schirmeisen Deciphering the mechanism of on-surface dehydrogenative C–C coupling reactionsExterner Link J. Am. Chem. Soc. 2024, 146, 3, 1849 (doi: 10.1021/jacs.3c05233)
- A. J. Achazi, X. Fataj, P. Rohland, M. D. Hager, U. S. Schubert, D. Mollenhauer Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytesExterner Link J. Comput. Chem. 2024, 45, 1112 (doi: 10.1002/jcc.27299) Cover ImageExterner Link
- A. Zaichenko, A. J. Achazi, S. Kunz, H. A. Wegner, J. Janek, D. Mollenhauer Static theoretical investigations of organic redox active materials for redox flow batteriesExterner Link Prog. Energy 2024, 6, 012001 (doi: 10.1088/2516-1083/ad0913)
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2023
- X. Fataj, A. J. Achazi, P. Rohland, E. Schröter, S. Muench, R. Burges, K. L. H. Pohl, D. Mollenhauer, M. D. Hager, U. S. Schubert Development of novel redox-active organic materials based on benzimidazole, benzoxazole, and benzothiazole – a combined theoretical and experimental screening approachExterner Link Chem. Eur. J. 2023, e202302 (doi: 10.1002/chem.202302979)
- J. Jung, D. Mollenhauer Theoretical Studies of the Mechanism of Ullmann Coupling of Naphthyl Halogen Derivatives to Binaphtyl on Coinage MetalsExterner Link J. Phys. Chem. C 2023, 127, 41, 20284 (doi: 10.1021/acs.jpcc.3c03379 Inside CoverExterner Link
- E. Franz, J. Jung, A. Kunz, H. A. Wegner, O. Brummel, D. Mollenhauer, J. Libuda How Adsorption Affects the Energy Release in an Azothiophene-2 Based Molecular Solar−Thermal SystemExterner Link J. Phys. Chem. Lett. 2023, 14, 6, 1470 (doi: 10.1021/acs.jpclett.2c03732)
- S. Schwan, A. J. Achazi, F. Ziese, P. R. Schreiner, K. Volz, S. Dehnen, S. Sanna, D. Mollenhauer Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactionsExterner Link J. Comp. Chem. 2023, 44, 843 (doi: 10.1002/jcc.27047)
- J.-N. Luy, P. Henkel, D. Grigjanis, J. Jung, D. Mollenhauer, R. Tonner Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysisExterner Link J. Comput. Chem. 2023, 44, 179 (doi: 10.1002/jcc.26855)
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2022
- S. Kunz, M. Janse van Rensburg, D. S. Pietruschka, A. J. Achazi, D. Emmel, F. Kerner, D. Mollenhauer, H. A. Wegner, D. Schröder Unraveling the Electrochemistry of Verdazyl Species in Acidic Electrolytes for the Application in Redox Flow BatteriesExterner Link Chem. Mater. 2022, 34, 23, 10424 (doi: 10.1021/acs.chemmater.2c02279)
- M. J. Müller, F. Ziese, J. Belz, F. Hüppe, S. Gowrisankar, B. Bernhardt, S. Schwan, D. Mollenhauer P. R. Schreiner, K. Volz, S. Sanna, S. Chatterjee Octave-spanning 1 emission across the visible spectrum from single crystalline 1,3,5,7-tetrakis-(p-methoxyphenyl)adamantaneExterner Link Opt. Mater. Express 2022, 12, 9, 3517 (doi: 10.1364/OME.461427)
- I. Rojas León, J. Christmann, S. Schwan, F. Ziese, S. Sanna, D. Mollenhauer, N. W. Rosemann, S. Dehnen Cluster-Glass for Low-Cost White-Light EmissionExterner Link Adv. Mater. 2022, 34, 220335 (doi: 10.1002/adma.202203351)
- J. Belz, J. Haust, M. Müller, K. Eberheim, S. Schwan, S. Gowrisankar, F. Hüppe, A. Beyer, P. R. Schreiner, D. Mollenhauer, S. Sanna, S. Chatterjee, K. Volz Adamantanes as white-light emitters: Controlling arrangement and functionality by external Coulomb forcesExterner Link J. Phys. Chem. C 2022, 126, 23, 9843 (doi: 10.1021/acs.jpcc.2c02686)
- K. Eberheim, C. Dues, C. Attaccalite, M. J. Müller, S. Schwan, D. Mollenhauer, S. Chatterjee, S. Sanna Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Non-Linear OpticsExterner Link J. Phys. Chem. C 2022, 126, 7, 3713 (doi: 10.1021/acs.jpcc.1c10107)
- P. Henkel, S. Zahn, J. Lorenz, T. Jacob, J. Janek, D. Mollenhauer Temperature-dependent Li Vacancy Diffusion in Li4Ti5O12 by Means of First Principles Molecular Dynamic SimulationsExterner Link Phys. Chem. Chem. Phys. 2022, 24, 5301 (doi: 10.1039/D1CP05126A) Hot Paper