@article{21401,
  author       = {{Bornemann, Tobias and Schipp, Adrian and Sureth-Sloane, Caren}},
  journal      = {{Deutsches Steuerrecht}},
  number       = {{3}},
  pages        = {{182--190}},
  title        = {{{Was treibt die Komplexität der Ertragsbesteuerung multinationaler Unternehmen? – Ergebnisse einer Befragung in der deutschen Finanzverwaltung}}},
  volume       = {{59}},
  year         = {{2021}},
}

@inbook{35520,
  abstract     = {{Auch in der Lehrkräftebildung in der Domäne Physik ist es Ziel, im Studium vermittelte, theoretische Kenntnisse mit berufspraktischen Anforderungen von angehenden Lehrkräften in Beziehung zu setzen. Charakteristisch für das Fach ist dabei zum einen eine eher anwendungsorientierte theoretische Position zum Zusammenhang von Theorie und Praxis. Zum anderen zeichnet es sich auch durch eine Art experimentelle Orientierung aus, die die Relationierung beider Aspekte als empirisch zu klärende Herausforderung begreift. In diesem Beitrag wird daher zunächst ein kurzer Überblick über Modelle und empirische Forschungen zum Zusammenhang zwischen theoretischem Wissen und praktischem Lehrkräftehandeln gegeben, die das Verständnis der Relationierung von Theorie und Praxis in der Didaktik der Physik prägen. Anschließend werden typische Lehr-Lern-Formate beschrieben und dabei auch jeweils die Ergebnisse begleitender Wirksamkeitsevaluationen kurz dargestellt.}},
  author       = {{Vogelsang, Christoph and Rehfeldt, Daniel}},
  booktitle    = {{Edition Fachdidaktiken}},
  isbn         = {{9783658325671}},
  issn         = {{2524-8677}},
  pages        = {{333--348}},
  publisher    = {{Springer Fachmedien Wiesbaden}},
  title        = {{{Relationierung von Theorie und Praxis in der Lehrkräftebildung im Fach Physik – eine Übersicht über Forschungen und Formate}}},
  doi          = {{10.1007/978-3-658-32568-8_19}},
  year         = {{2021}},
}

@article{45177,
  author       = {{Kulgemeyer, Christoph and Kempin, Maren and Weißbach, Anna and Borowski, Andreas and Buschhüter, David and Enkrott, Patrick and Reinhold, Peter and Riese, Josef and Schecker, Horst and Schröder, Jan and Vogelsang, Christoph}},
  issn         = {{0950-0693}},
  journal      = {{International Journal of Science Education}},
  keywords     = {{Education}},
  number       = {{18}},
  pages        = {{3035--3057}},
  publisher    = {{Informa UK Limited}},
  title        = {{{Exploring the impact of pre-service science teachers’ reflection skills on the development of professional knowledge during a field experience}}},
  doi          = {{10.1080/09500693.2021.2006820}},
  volume       = {{43}},
  year         = {{2021}},
}

@inproceedings{45450,
  author       = {{Schröder, Jan and Vogelsang, Christoph and Riese, Josef}},
  booktitle    = {{Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch? Gesellschaft für Didaktik der Chemie und Physik. Online Jahrestagung 2020}},
  pages        = {{266--269}},
  title        = {{{Entwicklung der Fähigkeit zur Unterrichtsplanung im Fach Physik}}},
  volume       = {{41}},
  year         = {{2021}},
}

@article{62773,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>A gradient‐enhanced damage model is combined with finite viscoelasticity and implemented in an Abaqus user subroutine, exploiting the heat equation solution capabilities for the damage regularisation, in order to simulate soft polymers. This regularised damage approach provides the advantage of mesh independent results and avoids localisation effects. In this work, a self‐diagnostic poly(dimethylsiloxane) (PDMS) elastomer is chosen as an example. To this end, an efficient two‐step parameter identification framework is developed to calibrate the corresponding model parameters.</jats:p>}},
  author       = {{Schulte, Robin and Ostwald, Richard and Menzel, Andreas}},
  issn         = {{1617-7061}},
  journal      = {{PAMM}},
  number       = {{1}},
  publisher    = {{Wiley}},
  title        = {{{A computational framework for gradient‐enhanced damage – implementation and applications}}},
  doi          = {{10.1002/pamm.202000215}},
  volume       = {{20}},
  year         = {{2021}},
}

@article{62772,
  author       = {{Schowtjak, Alexander and Schulte, Robin and Clausmeyer, Till and Ostwald, Richard and Tekkaya, A. Erman and Menzel, Andreas}},
  issn         = {{0020-7403}},
  journal      = {{International Journal of Mechanical Sciences}},
  publisher    = {{Elsevier BV}},
  title        = {{{ADAPT — A Diversely Applicable Parameter Identification Tool: Overview and full-field application examples}}},
  doi          = {{10.1016/j.ijmecsci.2021.106840}},
  volume       = {{213}},
  year         = {{2021}},
}

@article{62803,
  abstract     = {{The aim to produce highly active, selective, and long-lived electrocatalysts by design drives major research efforts toward gaining fundamental understanding of the relationship between material properties and their catalytic performance. Surface characterization tools enable to assess atomic scale information on the complexity of electrocatalyst materials. Advancing electrochemical methodologies to adequately characterize such systems was less of a research focus point. In this Review, we shed light on the ability to gain fundamental insights into electrocatalysis from a complementary perspective and establish corresponding design strategies. These may rely on adopting the perceptions and models of other subareas of electrochemistry, such as corrosion, battery research, or electrodeposition. Concepts on how to account for and improve mass transport, manage gas bubble release, or exploit magnetic fields are highlighted in this respect. Particular attention is paid to deriving design strategies for nanoelectrocatalysts, which is often impeded, as structural and physical material properties are buried in electrochemical data of whole electrodes or even devices. Thus, a second major approach focuses on overcoming this difference in the considered level of complexity by methods of single-entity electrochemistry. The gained understanding of intrinsic catalyst performance may allow to rationally advance design concepts with increased complexity, such as three-dimensional electrode architectures. Many materials undergo structural changes upon formation of the working catalyst. Accordingly, developing “precatalysts” with low hindrance of the electrochemical transformation to the active catalyst is suggested as a final design strategy.}},
  author       = {{Linnemann, Julia and Kanokkanchana, Kannasoot and Tschulik, Kristina}},
  issn         = {{2155-5435}},
  journal      = {{ACS Catalysis}},
  keywords     = {{electrocatalysis}},
  number       = {{9}},
  pages        = {{5318--5346}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Design Strategies for Electrocatalysts from an Electrochemist’s Perspective}}},
  doi          = {{10.1021/acscatal.0c04118}},
  volume       = {{11}},
  year         = {{2021}},
}

@article{62806,
  abstract     = {{The electrical double‐layer plays a key role in important interfacial electrochemical processes from catalysis to energy storage and corrosion. Therefore, understanding its structure is crucial for the progress of sustainable technologies. We extract new physico‐chemical information on the capacitance and structure of the electrical double‐layer of platinum and gold nanoparticles at the molecular level, employing single nanoparticle electrochemistry. The charge storage ability of the solid/liquid interface is larger by one order‐of‐magnitude than predicted by the traditional mean‐field models of the double‐layer such as the Gouy–Chapman–Stern model. Performing molecular dynamics simulations, we investigate the possible relationship between the measured high capacitance and adsorption strength of the water adlayer formed at the metal surface. These insights may launch the active tuning of solid–solvent and solvent–solvent interactions as an innovative design strategy to transform energy technologies towards superior performance and sustainability.}},
  author       = {{Azimzadeh Sani, Mahnaz and Pavlopoulos, Nicholas G. and Pezzotti, Simone and Serva, Alessandra and Cignoni, Paolo and Linnemann, Julia and Salanne, Mathieu and Gaigeot, Marie‐Pierre and Tschulik, Kristina}},
  issn         = {{1433-7851}},
  journal      = {{Angewandte Chemie International Edition}},
  keywords     = {{single-entity electrochemistry, electrical double layer, supercapacitor, nanoparticles}},
  number       = {{5}},
  publisher    = {{Wiley}},
  title        = {{{Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer}}},
  doi          = {{10.1002/anie.202112679}},
  volume       = {{61}},
  year         = {{2021}},
}

@article{62805,
  abstract     = {{Single-entity electrochemistry allows for assessing electrocatalytic activities of individual material entities such as nanoparticles (NPs). Thus, it becomes possible to consider intrinsic electrochemical properties of nanocatalysts when researching how activity relates to physical and structural material properties. Conversely, conventional electrochemical techniques provide a normalized sum current referring to a huge ensemble of NPs constituting, along with additives (e.g., binders), a complete catalyst-coated electrode. Accordingly, recording electrocatalytic responses of single NPs avoids interferences of ensemble effects and reduces the complexity of electrocatalytic processes, thus enabling detailed description and modelling. Herein, we present insights into the oxygen evolution catalysis at individual cubic Co3O4 NPs impacting microelectrodes of different support materials. Simulating diffusion at supported nanocubes, measured step current signals can be analyzed, providing edge lengths, corresponding size distributions, and interference-free turnover frequencies. The provided nano-impact investigation of (electro-)catalyst-support effects contradicts assumptions on a low number of highly active sites.}},
  author       = {{Liu, Zhibin and Corva, Manuel and Amin, Hatem M. A. and Blanc, Niclas and Linnemann, Julia and Tschulik, Kristina}},
  issn         = {{1422-0067}},
  journal      = {{International Journal of Molecular Sciences}},
  keywords     = {{electrocatalysis, oxygen evolution reaction, cobalt spinel, single-entity electrochemistry}},
  number       = {{23}},
  publisher    = {{MDPI AG}},
  title        = {{{Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects}}},
  doi          = {{10.3390/ijms222313137}},
  volume       = {{22}},
  year         = {{2021}},
}

@inbook{23733,
  author       = {{Pollmeier, Pascal and Fechner, Sabine}},
  booktitle    = {{Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken}},
  editor       = {{Kubsch, Marcus and Sorge, Stefan and Arnold, Julia and Graulich, Nicole}},
  isbn         = {{9783830943495}},
  pages        = {{150--154}},
  publisher    = {{Waxmann}},
  title        = {{{Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht}}},
  doi          = {{10.31244/9783830993490}},
  year         = {{2021}},
}

@inbook{27071,
  author       = {{Pollmeier, Pascal and Fechner, Sabine}},
  booktitle    = {{Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken}},
  editor       = {{Caruso, Carina and Harteis, Christian  and Gröschner, Alexander}},
  issn         = {{2524-8677}},
  publisher    = {{Springer Fachmedien}},
  title        = {{{Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten}}},
  doi          = {{10.1007/978-3-658-32568-8_16}},
  year         = {{2021}},
}

@inbook{24935,
  author       = {{Bauer, Anna and Sacher, Marc and Habig, Sebastian and Fechner, Sabine}},
  booktitle    = {{Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre}},
  editor       = {{Neiske, Iris and Osthushenrich, Judith and Schaper, Niclas and Trier, Ulrike and Vöing, Nerea}},
  pages        = {{155--168}},
  publisher    = {{ transcript Verlag}},
  title        = {{{Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften}}},
  doi          = {{DOI: 10.14361/9783839456903-011}},
  volume       = {{3}},
  year         = {{2021}},
}

@inproceedings{26405,
  author       = {{Schubert, Philipp and Sattler, Florian and Schiebel, Fabian Benedikt and Hermann, Ben and Bodden, Eric}},
  booktitle    = {{2021 IEEE 21st International Working Conference on Source Code Analysis and Manipulation (SCAM)}},
  title        = {{{Modeling the Effects of Global Variables in Data-Flow Analysis for C/C++}}},
  year         = {{2021}},
}

@article{62851,
  abstract     = {{To reduce high-level radiotoxic waste generated by nuclear power plants, highly selective separation agents for minor actinides are mandatory. The mixed N,O-donor ligand N,N,N′,N′-tetrakis[(6-carboxypyridin-2-yl)methyl]ethylenediamine (H4TPAEN; 1) has shown good performance as a masking agent in Am3+/Eu3+ separation studies. Adjustments on the pyridyl backbone to raise the hydrophilicity led to a decrease in selectivity and a decrease in M3+–Nam interactions. An enhanced basicity of the pyridyl N-donors was given as a cause. In this work, we examine whether a decrease in O-donor basicity can promote the M3+–Nam interactions. Therefore, we replace the deprotonated “charged” carboxylic acid groups of TPAEN4– by neutral amide groups and introduce N,N,N′,N’-tetrakis[(6-N″,N′′-diethylcarbamoylpyridin-2-yl)methyl]ethylenediamine (TPAMEN; 2) as a new ligand. TPAMEN was crystallized with Eu(OTf)3 and Eu(NO3)3·6H2O to form positively charged 1:1 [Eu(TPAMEN)]3+ complexes in the solid state. Alterations in the M–O/N bond distances are compared to [Eu(TPAEN)]− and investigated by DFT calculations to expose the differences in charge/energy density distributions at europium(III) and the donor functionalities of the TPAEN4– and TPAMEN. On the basis of estimations of the bond orders, atomic charges spin populations, and density of states in the Eu and potential Am and Cm complexes, the specific contributions of the donor–metal interaction are analyzed. The prediction of complex formation energy differences for the [M(TPAEN)]− and [M(TPAMEN)]3+ (M3+ = Eu3+, Am3+) complexes provide an outlook on the potential performance of TPAMEN in Am3+/Eu3+ separation.}},
  author       = {{Schnaars, Kathleen and Kaneko, Masashi and Fujisawa, Kiyoshi}},
  issn         = {{0020-1669}},
  journal      = {{Inorganic Chemistry}},
  number       = {{4}},
  pages        = {{2477--2491}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex}}},
  doi          = {{10.1021/acs.inorgchem.0c03405}},
  volume       = {{60}},
  year         = {{2021}},
}

@article{21362,
  author       = {{Xue, Yan and Chestnov, Igor and Sedov, Evgeny and Kiktenko, Evgeniy and Fedorov, Aleksey K. and Schumacher, Stefan and Ma, Xuekai and Kavokin, Alexey}},
  issn         = {{2643-1564}},
  journal      = {{Physical Review Research}},
  number       = {{1}},
  title        = {{{Split-ring polariton condensates as macroscopic two-level quantum systems}}},
  doi          = {{10.1103/physrevresearch.3.013099}},
  volume       = {{3}},
  year         = {{2021}},
}

@article{21359,
  author       = {{Barkhausen, Franziska and Pukrop, Matthias and Schumacher, Stefan and Ma, Xuekai}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{7}},
  title        = {{{Structuring coflowing and counterflowing currents of polariton condensates in concentric ring-shaped and elliptical potentials}}},
  doi          = {{10.1103/physrevb.103.075305}},
  volume       = {{103}},
  year         = {{2021}},
}

@article{40250,
  author       = {{Jain, Mitisha and Gerstmann, Uwe and Schmidt, Wolf Gero and Aldahhak, Hazem}},
  issn         = {{0192-8651}},
  journal      = {{Journal of Computational Chemistry}},
  keywords     = {{Computational Mathematics, General Chemistry}},
  number       = {{6}},
  pages        = {{413--420}},
  publisher    = {{Wiley}},
  title        = {{{Adatom mediated adsorption of            <scp>N‐heterocyclic</scp>            carbenes on Cu(111) and Au(111)}}},
  doi          = {{10.1002/jcc.26801}},
  volume       = {{43}},
  year         = {{2021}},
}

@article{29747,
  author       = {{Jurgen von Bardeleben, Hans and Cantin, Jean-Louis and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur}},
  issn         = {{1530-6984}},
  journal      = {{Nano Letters}},
  keywords     = {{Mechanical Engineering, Condensed Matter Physics, General Materials Science, General Chemistry, Bioengineering}},
  number       = {{19}},
  pages        = {{8119--8125}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC}}},
  doi          = {{10.1021/acs.nanolett.1c02564}},
  volume       = {{21}},
  year         = {{2021}},
}

@article{29749,
  author       = {{Murzakhanov, F. F. and Yavkin, B. V. and Mamin, G. V. and Orlinskii, S. B. and von Bardeleben, H. J. and Biktagirov, Timur and Gerstmann, Uwe and Soltamov, V. A.}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  pages        = {{245203}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC}}},
  doi          = {{10.1103/physrevb.103.245203}},
  volume       = {{103}},
  year         = {{2021}},
}

@article{22010,
  author       = {{Aldahhak, Hazem and Hogan, Conor and Lindner, Susi and Appelfeller, Stephan and Eisele, Holger and Schmidt, Wolf Gero and Dähne, Mario and Gerstmann, Uwe and Franz, Martin}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  pages        = {{035303}},
  title        = {{{Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy}}},
  doi          = {{10.1103/physrevb.103.035303}},
  volume       = {{103}},
  year         = {{2021}},
}