@article{33680,
author = {{Khajehpasha, Ehsan Rahmatizad and Finkler, Jonas A. and Kühne, Thomas and Ghasemi, Alireza}},
issn = {{2469-9950}},
journal = {{Physical Review B}},
number = {{14}},
publisher = {{American Physical Society (APS)}},
title = {{{CENT2: Improved charge equilibration via neural network technique}}},
doi = {{10.1103/physrevb.105.144106}},
volume = {{105}},
year = {{2022}},
}
@article{33686,
author = {{Elizabeth, Amala and Sahoo, Sudhir K. and Phirke, Himanshu and Kodalle, Tim and Kühne, Thomas and Audinot, Jean-Nicolas and Wirtz, Tom and Redinger, Alex and Kaufmann, Christian A. and Mirhosseini, Hossein and Mönig, Harry}},
issn = {{1944-8244}},
journal = {{ACS Applied Materials & Interfaces}},
keywords = {{General Materials Science}},
number = {{29}},
pages = {{34101--34112}},
publisher = {{American Chemical Society (ACS)}},
title = {{{Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se2 Solar Cell Absorbers}}},
doi = {{10.1021/acsami.2c08257}},
volume = {{14}},
year = {{2022}},
}
@article{33689,
author = {{Raghuwanshi, Mohit and Chugh, Manjusha and Sozzi, Giovanna and Kanevce, Ana and Kühne, Thomas and Mirhosseini, Hossein and Wuerz, Roland and Cojocaru‐Mirédin, Oana}},
issn = {{0935-9648}},
journal = {{Advanced Materials}},
keywords = {{Mechanical Engineering, Mechanics of Materials, General Materials Science}},
number = {{37}},
publisher = {{Wiley}},
title = {{{Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se 2 Thin‐Film Solar Cells}}},
doi = {{10.1002/adma.202203954}},
volume = {{34}},
year = {{2022}},
}
@article{33690,
author = {{Ibaceta-Jaña, Josefa and Chugh, Manjusha and Novikov, Alexander S. and Mirhosseini, Hossein and Kühne, Thomas and Szyszka, Bernd and Wagner, Markus R. and Muydinov, Ruslan}},
issn = {{1932-7447}},
journal = {{The Journal of Physical Chemistry C}},
keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}},
number = {{38}},
pages = {{16215--16226}},
publisher = {{American Chemical Society (ACS)}},
title = {{{Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?}}},
doi = {{10.1021/acs.jpcc.2c02984}},
volume = {{126}},
year = {{2022}},
}
@article{33683,
author = {{Lepre, Enrico and Heske, Julian Joachim and Nowakowski, Michal and Scoppola, Ernesto and Zizak, Ivo and Heil, Tobias and Kühne, Thomas and Antonietti, Markus and López-Salas, Nieves and Albero, Josep}},
issn = {{2211-2855}},
journal = {{Nano Energy}},
keywords = {{Electrical and Electronic Engineering, General Materials Science, Renewable Energy, Sustainability and the Environment}},
publisher = {{Elsevier BV}},
title = {{{Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid}}},
doi = {{10.1016/j.nanoen.2022.107191}},
volume = {{97}},
year = {{2022}},
}
@misc{33688,
author = {{Balos, Vasileios and Kaliannan, Naveen Kumar and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Sajadi, Mohsen}},
publisher = {{LibreCat University}},
title = {{{Time resolved THz-Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water}}},
doi = {{10.5281/ZENODO.6514905}},
year = {{2022}},
}
@article{33833,
author = {{Kim, Sanghoon and Pathak, Sachin and Rhim, Sonny H. and Cha, Jongin and Jekal, Soyoung and Hong, Soon Cheol and Lee, Hyun Hwi and Park, Sung‐Hun and Lee, Han‐Koo and Park, Jae‐Hoon and Lee, Soogil and Steinrück, Hans-Georg and Mehta, Apurva and Wang, Shan X. and Hong, Jongill}},
issn = {{2198-3844}},
journal = {{Advanced Science}},
keywords = {{General Physics and Astronomy, General Engineering, Biochemistry, Genetics and Molecular Biology (miscellaneous), General Materials Science, General Chemical Engineering, Medicine (miscellaneous)}},
number = {{24}},
pages = {{2201749}},
publisher = {{Wiley}},
title = {{{Giant Orbital Anisotropy with Strong Spin–Orbit Coupling Established at the Pseudomorphic Interface of the Co/Pd Superlattice}}},
doi = {{10.1002/advs.202201749}},
volume = {{9}},
year = {{2022}},
}
@article{30202,
abstract = {{Die Arbeit mit Videografien eigenen Unterrichts wird in Praxisphasen in der universitären Lehramtsausbildung zunehmend als methodisches Mittel zur Reflexion von Unterrichtserfahrungen genutzt. Als wesentlicher Einflussfaktor für einen erfolgreichen Einsatz werden dabei die begleitenden Emotionen der Studierenden angenommen. In einer längsschnittlichen Interviewstudie wurden daher die emotionalen Prozesse von 20 Lehramtsstudierenden bei der Arbeit mit Eigenvideografien in Begleitveranstaltungen des Praxissemesters untersucht. Dabei konnten drei Typen rekonstruiert werden, die prototypische emotionale Muster im Praxissemesterverlauf beschreiben, die durch die Valenz emotionaler Zustände bezüglich der Eigenvideografie zu Beginn und Ende des Praxissemesters charakterisiert werden können (negativ-positiv, positiv-positiv, negativ-negativ). Bei fallübergreifender Betrachtung konnten zudem zentrale Zusammenhänge zwischen Emotionen und Merkmalen des Videoeinsatzes identifiziert werden, wie die Vertrautheit mit Mitstudierenden, der Prozess der Aufnahmegenehmigung und Vorerfahrungen mit Eigenvideografie. Die Ergebnisse der Studie können zur Vermeidung intensiver negativer Emotionen bei der Nutzung videobasierter Reflexion eigenen Unterrichts beitragen und die Akzeptanz von Eigenvideografie zur eigenen Professionalisierung in der Lehrerbildung erhöhen.}},
author = {{Pollmeier, Pascal and Rogge, Tim and Vogelsang, Christoph}},
issn = {{2367-3044}},
journal = {{ZeHf – Zeitschrift für empirische Hochschulforschung}},
number = {{1}},
pages = {{20--37}},
publisher = {{Verlag Barbara Budrich GmbH}},
title = {{{Emotionale Erfahrungen von Lehramtsstudierenden bei der Arbeit mit Eigenvideografien von Unterricht – Fallanalysen aus einer längsschnittlichen Interviewstudie im Praxissemester}}},
doi = {{10.3224/zehf.v5i1.03}},
volume = {{5}},
year = {{2022}},
}
@article{35642,
abstract = {{There is an increasing interest in sensing applications for a variety of analytes in aqueous environments, as conventional methods do not work reliably under humid conditions or they require complex equipment with experienced operators. Hydrogel sensors are easy to fabricate, are incredibly sensitive, and have broad dynamic ranges. Experiments on their robustness, reliability, and reusability have indicated the possible long-term applications of these systems in a variety of fields, including disease diagnosis, detection of pharmaceuticals, and in environmental testing. It is possible to produce hydrogels, which, upon sensing a specific analyte, can adsorb it onto their 3D-structure and can therefore be used to remove them from a given environment. High specificity can be obtained by using molecularly imprinted polymers. Typical detection principles involve optical methods including fluorescence and chemiluminescence, and volume changes in colloidal photonic crystals, as well as electrochemical methods. Here, we explore the current research utilizing hydrogel-based sensors in three main areas: (1) biomedical applications, (2) for detecting and quantifying pharmaceuticals of interest, and (3) detecting and quantifying environmental contaminants in aqueous environments.}},
author = {{Völlmecke, Katharina and Afroz, Rowshon and Bierbach, Sascha and Brenker, Lee Josephine and Frücht, Sebastian and Glass, Alexandra and Giebelhaus, Ryland and Hoppe, Axel and Kanemaru, Karen and Lazarek, Michal and Rabbe, Lukas and Song, Longfei and Velasco Suarez, Andrea and Wu, Shuang and Serpe, Michael and Kuckling, Dirk}},
issn = {{2310-2861}},
journal = {{Gels}},
keywords = {{Polymers and Plastics, Organic Chemistry, Biomaterials, Bioengineering}},
number = {{12}},
publisher = {{MDPI AG}},
title = {{{Hydrogel-Based Biosensors}}},
doi = {{10.3390/gels8120768}},
volume = {{8}},
year = {{2022}},
}
@article{32416,
abstract = {{In recent years, sequence-defined oligomers (SDOs) gained increasing interest due to their perfectly controlled molecular structure, thus providing defined properties. In order to tune the properties, different functionalities need to be incorporated into the oligomers and the chain tacticity needs to be controlled. Beside the synthesis of SDOs, suitable methods need to be found to analyze the molecular structure. In this work, oligomers exhibiting an alternating or block-wise sequence of side chain functionalities were analyzed using a hyphenation of ultra-high-performance liquid chromatography and electrospray ionization mass spectrometry enhanced by ion mobility separation (IMS). Moieties in the side chains were varied according to polarity and bulkiness. Moreover, chain tacticity was varied. Drift times in the IMS cell and the corresponding collision cross section (CCS) values were shown to be individual parameters allowing the identification of SDOs, even in the case that SDO structures only differ in sequence or tacticity of side chain functionalities. Thus, a library of CCS values was obtained as reference used for the analysis of complex mixtures of SDOs.}},
author = {{Berg, Marie-Theres and Herberg, Artjom and Kuckling, Dirk}},
issn = {{1023-666X}},
journal = {{International Journal of Polymer Analysis and Characterization}},
keywords = {{Ultra-high-performance liquid chromatography, ion mobility separation, mass spectrometry, LC-MS hyphenation, sequence-defined oligomers}},
pages = {{1--12}},
publisher = {{Informa UK Limited}},
title = {{{Hyphenation of ultra-high-performance liquid chromatography and ion mobility mass spectrometry for the analysis of sequence-defined oligomers with different functionalities and tacticity}}},
doi = {{10.1080/1023666x.2022.2100968}},
year = {{2022}},
}
@article{35645,
abstract = {{Poly(quinuclidin-3-yl methacrylate-co-divinylbenzene) microparticles having porous as well as nonporous morphology and varying contents of quinuclidine functionality were synthesized by distillation–precipitation polymerization. Further, the synthesized microparticles were explored to catalyze the Baylis–Hillman reaction between 4-nitrobenzaldehyde and acrylonitrile. Porous and nonporous microparticles functionalized with a catalytic moiety with a loading of 70% (labeled as P70 and NP70) were employed to optimize reaction parameters such as water content, solvent, and temperature for the Baylis–Hillman reaction between 4-nitrobenzaldehyde and acrylonitrile. Using optimal conditions, the catalytic efficiency of porous and nonporous microparticles at different feed compositions was determined. Porous microparticles containing 70% of quinuclidine (P70) displayed 100% conversion within 16 h at 50 °C, while nonporous microparticles containing 70% of quinuclidine (NP70) displayed a relatively less catalytic conversion, which is attributed to their lower surface area. Furthermore, the catalytic activity of porous microparticles containing 70% of quinuclidine (P70) for the Baylis–Hillman reaction involving a variety of aryl aldehyde derivatives was determined, where the microparticles displayed impressive catalytic efficiency. In addition, the reusability of the microparticles functionalized with a catalytic moiety was evaluated for five cycles of catalytic reaction.}},
author = {{Kumar, Amit and Kuckling, Dirk and Nebhani, Leena}},
issn = {{2637-6105}},
journal = {{ACS Applied Polymer Materials}},
keywords = {{distillation−precipitation polymerization, porous microparticles, heterogeneous catalysis Baylis−Hillman reaction, reusable catalyst}},
number = {{12}},
pages = {{8996--9005}},
publisher = {{American Chemical Society (ACS)}},
title = {{{Quinuclidine-Immobilized Porous Polymeric Microparticles as a Compelling Catalyst for the Baylis–Hillman Reaction}}},
doi = {{10.1021/acsapm.2c01330}},
volume = {{4}},
year = {{2022}},
}
@article{32865,
abstract = {{For the first time, poly(N-isopropylacrylamide) (PNIPAAm) star polymers with a β-cyclodextrin core are characterized in detail by size-exclusion chromatography (SEC) with triple detection to experimentally verify the number of arms. A combination of a refractive index detector, multi-angle laser light scattering detector, and an online-viscosimeter was used for branching analysis. At first, the SEC system was calibrated and the detector setup was validated using linear polystyrene reference polymers. The applicability of the established triple detection SEC for branching analysis was shown by the analysis of two commercially available polystyrene star polymers. Due to the high molar masses of the star polymers, both the contraction ratio g and g′ could be determined independently, thus allowing the calculation of the viscosity shielding ratio ε. Finally, the branching analysis of the PNIPAAm star polymers could experimentally confirm the assumed arm number of up to 21 arms. Moreover, an increasingly compact molecular structure and the influence of the arm number on the viscosity shielding ratio could be shown.}},
author = {{Herberg, Artjom and Kuckling, Dirk}},
issn = {{1023-666X}},
journal = {{International Journal of Polymer Analysis and Characterization}},
keywords = {{Size-exclusion chromatography, triple detection, branching analysis, star polymers, poly(N-isopropylacrylamide), β-cyclodextrin}},
pages = {{1--19}},
publisher = {{Informa UK Limited}},
title = {{{Branching analysis of β-cyclodextrin-based poly(N-isopropylacrylamide) star polymers using triple detection SEC}}},
doi = {{10.1080/1023666x.2022.2110133}},
year = {{2022}},
}
@article{43021,
author = {{Duderija, B. and González-Orive, A. and Schmidt, H.C. and Calderón, J.C. and Hordych, I. and Maier, H.J. and Homberg, W. and Grundmeier, G.}},
issn = {{2666-3309}},
journal = {{Journal of Advanced Joining Processes}},
keywords = {{Mechanical Engineering, Mechanics of Materials, Engineering (miscellaneous), Chemical Engineering (miscellaneous)}},
publisher = {{Elsevier BV}},
title = {{{Electrografting of BTSE: Zn films for advanced steel-aluminum joining by plastic deformation}}},
doi = {{10.1016/j.jajp.2022.100137}},
volume = {{7}},
year = {{2022}},
}
@article{32283,
author = {{Schmolke, Tobias and Meschut, Gerson and Rieker, Florian and Meinderink, Dennis and Grundmeier, Guido}},
journal = {{adhäsion KLEBEN & DICHTEN }},
pages = {{40--43}},
publisher = {{Springer Nature}},
title = {{{Untersuchung von Klebverbindungen für Batteriegehäuse}}},
doi = {{https://doi.org/10.1007/s35145-022-0596-9}},
volume = {{66}},
year = {{2022}},
}
@article{40986,
abstract = {{Currently, chemistry and physics are strongly dependent on the concept of the oxidation state. While the formal oxidation state is easily evaluated, the real physical oxidation state value is often difficult to determine and significantly varies from the formal values. Determination of the ionization threshold in X-ray absorption spectroscopy (XANES) relies on the absorption edge position and sometimes poses limitations, mainly due to the edge resonances. Moreover, the lower energy states can be probed only within x-soft or XUV photons providing only surface state information of probed materials. Here, we employ high energy resolution off-resonant spectroscopy to determine both 1s and 3p binding energies of Fe-based materials and therefore correlate to their physical oxidation state. The results are compared to the ones obtained with classical X-ray absorption, X-ray emission, and photoelectron spectroscopies. The observed differences in binding energies are discussed in a frame of initial and final state interactions with the atom's electronic configurations. The presented methodology is discussed towards potential use to single-shot experiments and application at X-ray free-electron lasers. Alternatively, core level X-ray emission spectroscopy can be used, but the emission line positions are strongly affected by spin-orbit interaction. However, due to the energy transfer from the photon to the excited core electron, the same information as in XANES is probed in high energy resolution off-resonant spectroscopy (HEROS). Based on the Kramers–Heisenberg theory, we propose a new approach for ionization threshold determination which is free of the limitations encountered in XANES-based determination of the core state energy. Namely, the value of core state energy can be determined analytically using a few HEROS spectra recorded with significantly higher spectral resolution. This approach provides a basis for the universal physical oxidation state determination method.}},
author = {{Nowakowski, Michał and Kalinko, Aleksandr and Szlachetko, Jakub and Fanselow, Rafał and Bauer, Matthias}},
issn = {{0267-9477}},
journal = {{Journal of Analytical Atomic Spectrometry}},
keywords = {{Spectroscopy, Analytical Chemistry}},
number = {{11}},
pages = {{2383--2391}},
publisher = {{Royal Society of Chemistry (RSC)}},
title = {{{High resolution off resonant spectroscopy as a probe of the oxidation state}}},
doi = {{10.1039/d2ja00232a}},
volume = {{37}},
year = {{2022}},
}
@article{40988,
abstract = {{Increasing the metal-to-ligand charge transfer (MLCT) excited state lifetime of polypyridine iron(II) complexes can be achieved by lowering the ligand's π* orbital energy and by increasing the ligand field splitting. In the homo- and heteroleptic complexes [Fe(cpmp)2]2+ (12+) and [Fe(cpmp)(ddpd)]2+ (22+) with the tridentate ligands 6,2’’-carboxypyridyl-2,2’-methylamine-pyridyl-pyridine (cpmp) and N,N’-dimethyl-N,N’-di-pyridin-2-ylpyridine-2,6-diamine (ddpd) two or one dipyridyl ketone moieties provide low energy π* acceptor orbitals. A good metal-ligand orbital overlap to increase the ligand field splitting is achieved by optimizing the octahedricity through CO and NMe units between the coordinating pyridines which enable the formation of six-membered chelate rings. The push-pull ligand cpmp provides intra-ligand and ligand-to-ligand charge transfer (ILCT, LL'CT) excited states in addition to MLCT excited states. Ground and excited state properties of 12+ and 22+ were accessed by X-ray diffraction analyses, resonance Raman spectroscopy, (spectro)electrochemistry, EPR spectroscopy, X-ray emission spectroscopy, static and time-resolved IR and UV/Vis/NIR absorption spectroscopy as well as quantum chemical calculations.}},
author = {{Weber, Sebastian and Zimmermann, Ronny T. and Bremer, Jens and Abel, Ken L. and Poppitz, David and Prinz, Nils and Ilsemann, Jan and Wendholt, Sven and Yang, Qingxin and Pashminehazar, Reihaneh and Monaco, Federico and Cloetens, Peter and Huang, Xiaohui and Kübel, Christian and Kondratenko, Evgenii and Bauer, Matthias and Bäumer, Marcus and Zobel, Mirijam and Gläser, Roger and Sundmacher, Kai and Sheppard, Thomas L.}},
issn = {{1867-3880}},
journal = {{ChemCatChem}},
keywords = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
number = {{8}},
publisher = {{Wiley}},
title = {{{Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation}}},
doi = {{10.1002/cctc.202101878}},
volume = {{14}},
year = {{2022}},
}
@article{36874,
author = {{Su, Jiangling and González Orive, Alejandro and Grundmeier, Guido}},
issn = {{0169-4332}},
journal = {{Applied Surface Science}},
keywords = {{Surfaces, Coatings and Films, Condensed Matter Physics, Surfaces and Interfaces, General Physics and Astronomy, General Chemistry}},
publisher = {{Elsevier BV}},
title = {{{Nano-FTIR and chemical force analysis of electrografted aryldiazonium salts on ODT-microcontact printed Au-surfaces}}},
doi = {{10.1016/j.apsusc.2022.155355}},
volume = {{609}},
year = {{2022}},
}
@article{36872,
author = {{Bobzin, K. and Kalscheuer, C. and Grundmeier, Guido and de los Arcos, T. and Kollmann, S. and Carlet, M.}},
issn = {{0257-8972}},
journal = {{Surface and Coatings Technology}},
keywords = {{Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Condensed Matter Physics, General Chemistry}},
publisher = {{Elsevier BV}},
title = {{{Oxidation stability of chromium aluminum oxynitride hard coatings}}},
doi = {{10.1016/j.surfcoat.2022.128927}},
volume = {{449}},
year = {{2022}},
}
@article{36873,
author = {{Neßlinger, Vanessa and Welzel, Stefan and Rieker, Florian and Meinderink, Dennis and Nieken, Ulrich and Grundmeier, Guido}},
issn = {{1862-832X}},
journal = {{Macromolecular Reaction Engineering}},
keywords = {{Polymers and Plastics, General Chemical Engineering, General Chemistry}},
publisher = {{Wiley}},
title = {{{Thin Organic‐Inorganic Anti‐Fouling Hybrid‐Films for Microreactor Components}}},
doi = {{10.1002/mren.202200043}},
year = {{2022}},
}
@article{36804,
author = {{Henksmeier, Tobias and Schulz, Johann Friedemann and Kluth, Elias and Feneberg, Martin and Goldhahn, Rüdiger and Sanchez, Ana M. and Voigt, Markus and Grundmeier, Guido and Reuter, Dirk}},
journal = {{Journal of Crystal Growth}},
publisher = {{Elsevier}},
title = {{{Remote epitaxy of In(x)Ga(1-x)As(001) on graphene covered GaAs(001) substrates}}},
doi = {{10.1016/j.jcrysgro.2022.126756}},
volume = {{593}},
year = {{2022}},
}