[{"issue":"n/a","year":"2025","citation":{"chicago":"Egert, Sonja, Renuka Remesh, Agatha Clarissa Jusdi, Yushi Sugawara, Konstantin Schutjajew, Martin Oschatz, Gerd Buntkowsky, and Torsten Gutmann. “Long-Term Cycling Stability of Sodium/Sodium Ion Cells Probed by In Situ Solid-State NMR Spectroscopy.” <i>Batteries &#38; Supercaps</i> n/a, no. n/a (2025): e202500516. <a href=\"https://doi.org/10.1002/batt.202500516\">https://doi.org/10.1002/batt.202500516</a>.","ieee":"S. Egert <i>et al.</i>, “Long-Term Cycling Stability of Sodium/Sodium Ion Cells Probed by In Situ Solid-State NMR Spectroscopy,” <i>Batteries &#38; Supercaps</i>, vol. n/a, no. n/a, p. e202500516, 2025, doi: <a href=\"https://doi.org/10.1002/batt.202500516\">10.1002/batt.202500516</a>.","ama":"Egert S, Remesh R, Jusdi AC, et al. Long-Term Cycling Stability of Sodium/Sodium Ion Cells Probed by In Situ Solid-State NMR Spectroscopy. <i>Batteries &#38; Supercaps</i>. 2025;n/a(n/a):e202500516. doi:<a href=\"https://doi.org/10.1002/batt.202500516\">10.1002/batt.202500516</a>","apa":"Egert, S., Remesh, R., Jusdi, A. C., Sugawara, Y., Schutjajew, K., Oschatz, M., Buntkowsky, G., &#38; Gutmann, T. (2025). Long-Term Cycling Stability of Sodium/Sodium Ion Cells Probed by In Situ Solid-State NMR Spectroscopy. <i>Batteries &#38; Supercaps</i>, <i>n/a</i>(n/a), e202500516. <a href=\"https://doi.org/10.1002/batt.202500516\">https://doi.org/10.1002/batt.202500516</a>","bibtex":"@article{Egert_Remesh_Jusdi_Sugawara_Schutjajew_Oschatz_Buntkowsky_Gutmann_2025, title={Long-Term Cycling Stability of Sodium/Sodium Ion Cells Probed by In Situ Solid-State NMR Spectroscopy}, volume={n/a}, DOI={<a href=\"https://doi.org/10.1002/batt.202500516\">10.1002/batt.202500516</a>}, number={n/a}, journal={Batteries &#38; Supercaps}, publisher={John Wiley &#38; Sons, Ltd}, author={Egert, Sonja and Remesh, Renuka and Jusdi, Agatha Clarissa and Sugawara, Yushi and Schutjajew, Konstantin and Oschatz, Martin and Buntkowsky, Gerd and Gutmann, Torsten}, year={2025}, pages={e202500516} }","mla":"Egert, Sonja, et al. “Long-Term Cycling Stability of Sodium/Sodium Ion Cells Probed by In Situ Solid-State NMR Spectroscopy.” <i>Batteries &#38; Supercaps</i>, vol. n/a, no. n/a, John Wiley &#38; Sons, Ltd, 2025, p. e202500516, doi:<a href=\"https://doi.org/10.1002/batt.202500516\">10.1002/batt.202500516</a>.","short":"S. Egert, R. Remesh, A.C. Jusdi, Y. Sugawara, K. Schutjajew, M. Oschatz, G. Buntkowsky, T. Gutmann, Batteries &#38; Supercaps n/a (2025) e202500516."},"page":"e202500516","date_updated":"2026-02-17T16:18:23Z","publisher":"John Wiley & Sons, Ltd","date_created":"2026-02-07T09:13:59Z","author":[{"last_name":"Egert","full_name":"Egert, Sonja","first_name":"Sonja"},{"last_name":"Remesh","full_name":"Remesh, Renuka","first_name":"Renuka"},{"first_name":"Agatha Clarissa","full_name":"Jusdi, Agatha Clarissa","last_name":"Jusdi"},{"last_name":"Sugawara","full_name":"Sugawara, Yushi","first_name":"Yushi"},{"full_name":"Schutjajew, Konstantin","last_name":"Schutjajew","first_name":"Konstantin"},{"full_name":"Oschatz, Martin","last_name":"Oschatz","first_name":"Martin"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"}],"volume":"n/a","title":"Long-Term Cycling Stability of Sodium/Sodium Ion Cells Probed by In Situ Solid-State NMR Spectroscopy","doi":"10.1002/batt.202500516","type":"journal_article","publication":"Batteries & Supercaps","abstract":[{"text":"Sodium-ion batteries are at the forefront of new, sustainable energy systems required for the global energy transition. 23Na in situ solid-state nuclear magnetic resonance spectroscopy is capable of unraveling structures in working electrochemical cells during the charging and discharging processes. To evaluate its suitability for long-term studies, local sodium environments in sodium/sodium ion cells based on silicon carbonitride and hard carbon materials are tracked for up to 49 cycles (228.5?h). The formation of dendrites as well as the decay of a secondary metallic sodium species is observed, and local structures are analyzed up to the point of capacity degradation and cell failure. Initial points of cell breakdown are reflected in the NMR data by characteristic changes in signal intensities, whereas the degradation of the cells is reflected by a cease to periodic signal intensity fluctuations. Meanwhile, ex situ 23Na NMR spectra of the deactivated cells reveal a complex range of environments for sodium ions.","lang":"eng"}],"status":"public","_id":"63950","user_id":"100715","keyword":["solid-state nmr","hard carbon","in-situ","SiCN","sodium ion batteries"],"extern":"1","language":[{"iso":"eng"}]},{"title":"DNP enhanced solid-state NMR – A powerful tool to address the surface functionalization of cellulose/paper derived materials","doi":"10.1016/j.jmro.2024.100163","date_updated":"2026-02-17T16:16:40Z","volume":21,"author":[{"last_name":"Höfler","full_name":"Höfler, Mark V.","first_name":"Mark V."},{"full_name":"Lins, Jonas","last_name":"Lins","first_name":"Jonas"},{"last_name":"Seelinger","full_name":"Seelinger, David","first_name":"David"},{"first_name":"Lukas","last_name":"Pachernegg","full_name":"Pachernegg, Lukas"},{"last_name":"Schäfer","full_name":"Schäfer, Timmy","first_name":"Timmy"},{"first_name":"Stefan","full_name":"Spirk, Stefan","last_name":"Spirk"},{"first_name":"Markus","full_name":"Biesalski, Markus","last_name":"Biesalski"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"}],"date_created":"2026-02-07T15:46:32Z","year":"2024","intvolume":"        21","page":"100163","citation":{"chicago":"Höfler, Mark V., Jonas Lins, David Seelinger, Lukas Pachernegg, Timmy Schäfer, Stefan Spirk, Markus Biesalski, and Torsten Gutmann. “DNP Enhanced Solid-State NMR – A Powerful Tool to Address the Surface Functionalization of Cellulose/Paper Derived Materials.” <i>Journal of Magnetic Resonance Open</i> 21 (2024): 100163. <a href=\"https://doi.org/10.1016/j.jmro.2024.100163\">https://doi.org/10.1016/j.jmro.2024.100163</a>.","ieee":"M. V. Höfler <i>et al.</i>, “DNP enhanced solid-state NMR – A powerful tool to address the surface functionalization of cellulose/paper derived materials,” <i>Journal of Magnetic Resonance Open</i>, vol. 21, p. 100163, 2024, doi: <a href=\"https://doi.org/10.1016/j.jmro.2024.100163\">10.1016/j.jmro.2024.100163</a>.","ama":"Höfler MV, Lins J, Seelinger D, et al. DNP enhanced solid-state NMR – A powerful tool to address the surface functionalization of cellulose/paper derived materials. <i>Journal of Magnetic Resonance Open</i>. 2024;21:100163. doi:<a href=\"https://doi.org/10.1016/j.jmro.2024.100163\">10.1016/j.jmro.2024.100163</a>","apa":"Höfler, M. V., Lins, J., Seelinger, D., Pachernegg, L., Schäfer, T., Spirk, S., Biesalski, M., &#38; Gutmann, T. (2024). DNP enhanced solid-state NMR – A powerful tool to address the surface functionalization of cellulose/paper derived materials. <i>Journal of Magnetic Resonance Open</i>, <i>21</i>, 100163. <a href=\"https://doi.org/10.1016/j.jmro.2024.100163\">https://doi.org/10.1016/j.jmro.2024.100163</a>","short":"M.V. Höfler, J. Lins, D. Seelinger, L. Pachernegg, T. Schäfer, S. Spirk, M. Biesalski, T. Gutmann, Journal of Magnetic Resonance Open 21 (2024) 100163.","mla":"Höfler, Mark V., et al. “DNP Enhanced Solid-State NMR – A Powerful Tool to Address the Surface Functionalization of Cellulose/Paper Derived Materials.” <i>Journal of Magnetic Resonance Open</i>, vol. 21, 2024, p. 100163, doi:<a href=\"https://doi.org/10.1016/j.jmro.2024.100163\">10.1016/j.jmro.2024.100163</a>.","bibtex":"@article{Höfler_Lins_Seelinger_Pachernegg_Schäfer_Spirk_Biesalski_Gutmann_2024, title={DNP enhanced solid-state NMR – A powerful tool to address the surface functionalization of cellulose/paper derived materials}, volume={21}, DOI={<a href=\"https://doi.org/10.1016/j.jmro.2024.100163\">10.1016/j.jmro.2024.100163</a>}, journal={Journal of Magnetic Resonance Open}, author={Höfler, Mark V. and Lins, Jonas and Seelinger, David and Pachernegg, Lukas and Schäfer, Timmy and Spirk, Stefan and Biesalski, Markus and Gutmann, Torsten}, year={2024}, pages={100163} }"},"keyword":["solid-state nmr","dynamic nuclear polarization","Hydroxypropyl cellulose","Selective enhancement","Spin labelling"],"language":[{"iso":"eng"}],"extern":"1","_id":"63988","user_id":"100715","abstract":[{"lang":"eng","text":"This concept summarizes recent advances in development and application of DNP enhanced multinuclear solid-state NMR to study the molecular structure and surface functionalization of cellulose and paper-based materials. Moreover, a novel application is presented where DNP enhanced 13C and 15N solid-state NMR is used to identify structure moieties formed by cross-linking of hydroxypropyl cellulose. Given these two aspects of this concept-type of article, we thus combine both, a review on recent findings already published and unpublished recent data that complement the existing knowledge in the field of characterization of functional lignocellulosic materials by DNP enhanced solid-state NMR."}],"status":"public","publication":"Journal of Magnetic Resonance Open","type":"journal_article"},{"year":"2024","intvolume":"        20","page":"100152","citation":{"ama":"Herr K, Höfler MV, Heise H, et al. Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media. <i>Journal of Magnetic Resonance Open</i>. 2024;20:100152. doi:<a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>","ieee":"K. Herr <i>et al.</i>, “Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media,” <i>Journal of Magnetic Resonance Open</i>, vol. 20, p. 100152, 2024, doi: <a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>.","chicago":"Herr, Kevin, Mark V. Höfler, Henrike Heise, Fabien Aussenac, Felix Kornemann, David Rosenberger, Martin Brodrecht, Marcos Oliveira, Gerd Buntkowsky, and Torsten Gutmann. “Biradicals Based on PROXYL Containing Building Blocks for Efficient Dynamic Nuclear Polarization in Biotolerant Media.” <i>Journal of Magnetic Resonance Open</i> 20 (2024): 100152. <a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">https://doi.org/10.1016/j.jmro.2024.100152</a>.","apa":"Herr, K., Höfler, M. V., Heise, H., Aussenac, F., Kornemann, F., Rosenberger, D., Brodrecht, M., Oliveira, M., Buntkowsky, G., &#38; Gutmann, T. (2024). Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media. <i>Journal of Magnetic Resonance Open</i>, <i>20</i>, 100152. <a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">https://doi.org/10.1016/j.jmro.2024.100152</a>","short":"K. Herr, M.V. Höfler, H. Heise, F. Aussenac, F. Kornemann, D. Rosenberger, M. Brodrecht, M. Oliveira, G. Buntkowsky, T. Gutmann, Journal of Magnetic Resonance Open 20 (2024) 100152.","mla":"Herr, Kevin, et al. “Biradicals Based on PROXYL Containing Building Blocks for Efficient Dynamic Nuclear Polarization in Biotolerant Media.” <i>Journal of Magnetic Resonance Open</i>, vol. 20, 2024, p. 100152, doi:<a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>.","bibtex":"@article{Herr_Höfler_Heise_Aussenac_Kornemann_Rosenberger_Brodrecht_Oliveira_Buntkowsky_Gutmann_2024, title={Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media}, volume={20}, DOI={<a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>}, journal={Journal of Magnetic Resonance Open}, author={Herr, Kevin and Höfler, Mark V. and Heise, Henrike and Aussenac, Fabien and Kornemann, Felix and Rosenberger, David and Brodrecht, Martin and Oliveira, Marcos and Buntkowsky, Gerd and Gutmann, Torsten}, year={2024}, pages={100152} }"},"title":"Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media","doi":"10.1016/j.jmro.2024.100152","date_updated":"2026-02-17T16:17:22Z","volume":20,"date_created":"2026-02-07T15:42:00Z","author":[{"last_name":"Herr","full_name":"Herr, Kevin","first_name":"Kevin"},{"first_name":"Mark V.","full_name":"Höfler, Mark V.","last_name":"Höfler"},{"first_name":"Henrike","full_name":"Heise, Henrike","last_name":"Heise"},{"last_name":"Aussenac","full_name":"Aussenac, Fabien","first_name":"Fabien"},{"first_name":"Felix","last_name":"Kornemann","full_name":"Kornemann, Felix"},{"full_name":"Rosenberger, David","last_name":"Rosenberger","first_name":"David"},{"last_name":"Brodrecht","full_name":"Brodrecht, Martin","first_name":"Martin"},{"last_name":"Oliveira","full_name":"Oliveira, Marcos","first_name":"Marcos"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"}],"abstract":[{"text":"A versatile strategy for synthesizing tailored peptide based biradicals is presented. By labeling the protected amino acid hydroxyproline with PROXYL via the OH functionality and using this building block in solid phase peptide synthesis (SPPS), the obtained peptides become polarization agents for DNP enhanced solid-state NMR in biotolerant media. To analyze the effect of the radical position on the enhancement factor, three different biradicals are synthesized. The PROXYL spin-label is inserted in a collagen inspired artificial peptide sequence by binding through the OH group of the hydroxyproline moieties at specific position in the chain. This labeling strategy is universally applicable for any hydroxyproline position in a peptide sequence since solid-phase peptide synthesis is used to insert the building block. High performance liquid chromatography (HPLC) and mass spectrometry (MS) analyses show the successful introduction of the spin label in the peptide chain and electron paramagnetic resonance (EPR) spectroscopy confirms its activity. Dynamic nuclear polarization (DNP) enhanced solid-state nuclear magnetic resonance (NMR) experiments performed on frozen aqueous glycerol-d8 solutions containing these peptide radicals show significantly higher enhancement factors of up to 45 in 1H→13C cross polarization magic angle spinning (CP MAS) experiments compared to an analogous mono-radical peptide including this building block (ε ≈ 14). Compared to commercial biradicals such as AMUPol for which enhancement factors {\\textgreater} 100 have been obtained in the past and which have been optimized in their structure, the obtained enhancement up to 45 for our biradicals presents a significant progress in radical design.","lang":"eng"}],"status":"public","publication":"Journal of Magnetic Resonance Open","type":"journal_article","keyword":["solid-state nmr","dynamic nuclear polarization","peptides","Biradicals","Spin labeling"],"language":[{"iso":"eng"}],"extern":"1","_id":"63974","user_id":"100715"},{"publication_identifier":{"issn":["1867-3880"]},"page":"e202401159","citation":{"bibtex":"@article{Haro Mares_Logrado_Kergassner_Zhang_Gutmann_Buntkowsky_2024, title={Solid-State NMR of Heterogeneous Catalysts}, DOI={<a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>}, journal={ChemCatChem}, publisher={John Wiley &#38; Sons, Ltd}, author={Haro Mares, Nadia and Logrado, Millena and Kergassner, Jan and Zhang, Bingyu and Gutmann, Torsten and Buntkowsky, Gerd}, year={2024}, pages={e202401159} }","mla":"Haro Mares, Nadia, et al. “Solid-State NMR of Heterogeneous Catalysts.” <i>ChemCatChem</i>, John Wiley &#38; Sons, Ltd, 2024, p. e202401159, doi:<a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>.","short":"N. Haro Mares, M. Logrado, J. Kergassner, B. Zhang, T. Gutmann, G. Buntkowsky, ChemCatChem (2024) e202401159.","apa":"Haro Mares, N., Logrado, M., Kergassner, J., Zhang, B., Gutmann, T., &#38; Buntkowsky, G. (2024). Solid-State NMR of Heterogeneous Catalysts. <i>ChemCatChem</i>, e202401159. <a href=\"https://doi.org/10.1002/cctc.202401159\">https://doi.org/10.1002/cctc.202401159</a>","ama":"Haro Mares N, Logrado M, Kergassner J, Zhang B, Gutmann T, Buntkowsky G. Solid-State NMR of Heterogeneous Catalysts. <i>ChemCatChem</i>. Published online 2024:e202401159. doi:<a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>","ieee":"N. Haro Mares, M. Logrado, J. Kergassner, B. Zhang, T. Gutmann, and G. Buntkowsky, “Solid-State NMR of Heterogeneous Catalysts,” <i>ChemCatChem</i>, p. e202401159, 2024, doi: <a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>.","chicago":"Haro Mares, Nadia, Millena Logrado, Jan Kergassner, Bingyu Zhang, Torsten Gutmann, and Gerd Buntkowsky. “Solid-State NMR of Heterogeneous Catalysts.” <i>ChemCatChem</i>, 2024, e202401159. <a href=\"https://doi.org/10.1002/cctc.202401159\">https://doi.org/10.1002/cctc.202401159</a>."},"year":"2024","date_created":"2026-02-07T15:40:38Z","author":[{"first_name":"Nadia","last_name":"Haro Mares","full_name":"Haro Mares, Nadia"},{"full_name":"Logrado, Millena","last_name":"Logrado","first_name":"Millena"},{"first_name":"Jan","full_name":"Kergassner, Jan","last_name":"Kergassner"},{"first_name":"Bingyu","last_name":"Zhang","full_name":"Zhang, Bingyu"},{"first_name":"Torsten","last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"}],"date_updated":"2026-02-17T16:17:30Z","publisher":"John Wiley & Sons, Ltd","doi":"10.1002/cctc.202401159","title":"Solid-State NMR of Heterogeneous Catalysts","publication":"ChemCatChem","type":"journal_article","status":"public","abstract":[{"text":"Abstract Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy, combined with dynamic nuclear polarization (DNP), quantum chemical DFT calculations, and gas-phase NMR spectroscopy investigating the structure and reactivity of heterogeneous catalysts are reviewed. The investigated catalysts range from classical mononuclear catalysts, like immobilized derivates of Wilkinson’s catalysts over binuclear catalysts such as the dirhodium paddlewheel catalyst to catalytic nanoparticles, employing various support materials, such as mesoporous silica gels, coordination polymers, and biomaterials such as cellulose.","lang":"eng"}],"user_id":"100715","_id":"63970","language":[{"iso":"eng"}],"extern":"1","keyword":["solid-state nmr","heterogeneous catalysis","dynamic nuclear polarization","Nanocatalysis","Surface-reactions"]},{"publication_identifier":{"issn":["1864-5631"]},"year":"2023","citation":{"chicago":"Šić, Edina, Konstantin Schutjajew, Ulrich Haagen, Hergen Breitzke, Martin Oschatz, Gerd Buntkowsky, and Torsten Gutmann. “Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR.” <i>Chemsuschem</i> 17 (2023): e202301300. <a href=\"https://doi.org/10.1002/cssc.202301300\">https://doi.org/10.1002/cssc.202301300</a>.","ieee":"E. Šić <i>et al.</i>, “Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR,” <i>Chemsuschem</i>, vol. 17, p. e202301300, 2023, doi: <a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>.","ama":"Šić E, Schutjajew K, Haagen U, et al. Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR. <i>Chemsuschem</i>. 2023;17:e202301300. doi:<a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>","bibtex":"@article{Šić_Schutjajew_Haagen_Breitzke_Oschatz_Buntkowsky_Gutmann_2023, title={Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR}, volume={17}, DOI={<a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>}, journal={Chemsuschem}, publisher={John Wiley &#38; Sons, Ltd}, author={Šić, Edina and Schutjajew, Konstantin and Haagen, Ulrich and Breitzke, Hergen and Oschatz, Martin and Buntkowsky, Gerd and Gutmann, Torsten}, year={2023}, pages={e202301300} }","short":"E. Šić, K. Schutjajew, U. Haagen, H. Breitzke, M. Oschatz, G. Buntkowsky, T. Gutmann, Chemsuschem 17 (2023) e202301300.","mla":"Šić, Edina, et al. “Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR.” <i>Chemsuschem</i>, vol. 17, John Wiley &#38; Sons, Ltd, 2023, p. e202301300, doi:<a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>.","apa":"Šić, E., Schutjajew, K., Haagen, U., Breitzke, H., Oschatz, M., Buntkowsky, G., &#38; Gutmann, T. (2023). Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR. <i>Chemsuschem</i>, <i>17</i>, e202301300. <a href=\"https://doi.org/10.1002/cssc.202301300\">https://doi.org/10.1002/cssc.202301300</a>"},"intvolume":"        17","page":"e202301300","publisher":"John Wiley & Sons, Ltd","date_updated":"2026-02-17T16:13:10Z","author":[{"full_name":"Šić, Edina","last_name":"Šić","first_name":"Edina"},{"first_name":"Konstantin","last_name":"Schutjajew","full_name":"Schutjajew, Konstantin"},{"first_name":"Ulrich","last_name":"Haagen","full_name":"Haagen, Ulrich"},{"first_name":"Hergen","last_name":"Breitzke","full_name":"Breitzke, Hergen"},{"first_name":"Martin","last_name":"Oschatz","full_name":"Oschatz, Martin"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"}],"date_created":"2026-02-07T16:12:13Z","volume":17,"title":"Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR","doi":"10.1002/cssc.202301300","type":"journal_article","publication":"Chemsuschem","abstract":[{"text":"Abstract In this work, we report on an improved cell assembly of cylindrical electrochemical cells for 23Na in-situ solid-state NMR (ssNMR) investigations. The cell set-up is suitable for using powder electrode materials. Reproducibility of our cell assembly is analyzed by preparing two cells containing hard carbon (HC) powder as working electrode and sodium metal as reference electrode. Electrochemical storage properties of HC powder electrode derived from carbonization of sustainable cellulose are studied by ssNMR. 23Na in-situ ssNMR monitors the sodiation/desodiation of a Na{\\textbar}NaPF6{\\textbar}HC cell (cell 1) over a period of 22?days, showing high cell stability. After the galvanostatic process, the HC powder material is investigated by high resolution 23Na ex-situ MAS NMR. The formation of ionic sodium species in different chemical environments is obtained. Subsequently, a second Na{\\textbar}NaPF6{\\textbar}HC cell (cell 2) is sodiated for 11?days achieving a capacity of 220?mAh/g. 23Na ex-situ MAS NMR measurements of the HC powder material extracted from this cell clearly indicate the presence of quasi-metallic sodium species next to ionic sodium species. This observation of quasi-metallic sodium species is discussed in terms of the achieved capacity of the cell as well as of side reactions of sodium in this electrode material.","lang":"eng"}],"status":"public","_id":"64045","user_id":"100715","keyword":["solid-state nmr","hard carbon","electrochemical cells","in-situ characterization","sodium"],"language":[{"iso":"eng"}],"extern":"1"},{"_id":"63948","user_id":"100715","keyword":["DNP NMR","Dynamics","Low temperature NMR","Octanol","Solid state NMR","Surfactants"],"extern":"1","language":[{"iso":"eng"}],"publication":"Solid State Nuclear Magnetic Resonance","type":"journal_article","abstract":[{"text":"In this work, the behavior of four different commercially available polarizing agents is investigated employing the non-ionic model surfactant 1-octanol as analyte. A relative method for the comparison of the proportion of the direct and indirect polarization transfer pathways is established, allowing a direct comparison of the polarization efficacy for different radicals and different parts of the 1-octanol molecule despite differences in radical concentration or sample amount. With this approach, it could be demonstrated that the hydrophilicity is a key factor in the way polarization is transferred from the polarizing agent to the analyte. These findings are confirmed by the determination of buildup times Tb, illustrating that the choice of polarizing agent plays an essential role in ensuring an optimal polarization transfer and therefore the maximum amount of enhancement possible for DNP enhanced NMR measurements.","lang":"eng"}],"status":"public","date_updated":"2026-02-17T16:18:26Z","volume":122,"date_created":"2026-02-07T09:13:08Z","author":[{"last_name":"Döller","full_name":"Döller, Sonja C.","first_name":"Sonja C."},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"Markus","full_name":"Hoffmann, Markus","last_name":"Hoffmann"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"title":"A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization","year":"2022","page":"101829","intvolume":"       122","citation":{"apa":"Döller, S. C., Gutmann, T., Hoffmann, M., &#38; Buntkowsky, G. (2022). A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization. <i>Solid State Nuclear Magnetic Resonance</i>, <i>122</i>, 101829.","short":"S.C. Döller, T. Gutmann, M. Hoffmann, G. Buntkowsky, Solid State Nuclear Magnetic Resonance 122 (2022) 101829.","mla":"Döller, Sonja C., et al. “A Case Study on the Influence of Hydrophilicity on the Signal Enhancement by Dynamic Nuclear Polarization.” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 122, 2022, p. 101829.","bibtex":"@article{Döller_Gutmann_Hoffmann_Buntkowsky_2022, title={A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization}, volume={122}, journal={Solid State Nuclear Magnetic Resonance}, author={Döller, Sonja C. and Gutmann, Torsten and Hoffmann, Markus and Buntkowsky, Gerd}, year={2022}, pages={101829} }","ieee":"S. C. Döller, T. Gutmann, M. Hoffmann, and G. Buntkowsky, “A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization,” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 122, p. 101829, 2022.","chicago":"Döller, Sonja C., Torsten Gutmann, Markus Hoffmann, and Gerd Buntkowsky. “A Case Study on the Influence of Hydrophilicity on the Signal Enhancement by Dynamic Nuclear Polarization.” <i>Solid State Nuclear Magnetic Resonance</i> 122 (2022): 101829.","ama":"Döller SC, Gutmann T, Hoffmann M, Buntkowsky G. A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization. <i>Solid State Nuclear Magnetic Resonance</i>. 2022;122:101829."}},{"_id":"63943","user_id":"100715","keyword":["solid-state nmr","Ansa-ferrocene","DFT calculations","Oligophosphine","Polyphosphane","Ring-opening polymerization"],"extern":"1","language":[{"iso":"eng"}],"publication":"Polymer","type":"journal_article","abstract":[{"lang":"eng","text":"A lithium halide exchange reaction at low-temperature, via the treatment of 2,6-di(isopropyl)phenyllithium on 1,1′-bis-(dichlorophosphino)ferrocene, resulted in the first isolated example of an aryl-substituted diphospha [2]ferrocenophane (diphospha [2]FCP) 2. Although compound 2 did not show any recognizable thermal reaction at higher temperature (up to 350 °C), its tert-butyl-substituted counterpart 1 underwent a clean selective heat-mediated P–C cleavage reaction, followed by an inter-molecular rearrangement, to produce a P–P fused bis [3]ferrocenophane 3 with all-trans oriented P-chain, which upon further heating gave a polyferrocenylphosphane tBu-[Fc’P2]n-tBu (4). Since polymer 4 is insoluble in common organic solvents, it has been characterized with solid-state techniques, including solid-state NMR. Density functional theory (DFT) has further been employed to identify possible pathways for P–C bond cleavage on 1 and 2, as well as to evaluate accessible pathways for further polymerization toward 4."}],"status":"public","date_updated":"2026-02-17T16:18:36Z","volume":242,"author":[{"first_name":"Subhayan","full_name":"Dey, Subhayan","last_name":"Dey"},{"first_name":"Denis","last_name":"Kargin","full_name":"Kargin, Denis"},{"first_name":"Mark V.","last_name":"Höfler","full_name":"Höfler, Mark V."},{"last_name":"Szathmari","full_name":"Szathmari, Balazs","first_name":"Balazs"},{"first_name":"Clemens","full_name":"Bruhn, Clemens","last_name":"Bruhn"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"full_name":"Kelemen, Zsolt","last_name":"Kelemen","first_name":"Zsolt"},{"first_name":"Rudolf","full_name":"Pietschnig, Rudolf","last_name":"Pietschnig"}],"date_created":"2026-02-07T09:10:38Z","title":"Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles","year":"2022","intvolume":"       242","page":"124589","citation":{"ieee":"S. Dey <i>et al.</i>, “Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles,” <i>Polymer</i>, vol. 242, p. 124589, 2022.","chicago":"Dey, Subhayan, Denis Kargin, Mark V. Höfler, Balazs Szathmari, Clemens Bruhn, Torsten Gutmann, Zsolt Kelemen, and Rudolf Pietschnig. “Oligo- and Polymerization of Phospha [2]Ferrocenophanes to One Dimensional Phosphorus Chains with Ferrocenylene Handles.” <i>Polymer</i> 242 (2022): 124589.","ama":"Dey S, Kargin D, Höfler MV, et al. Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles. <i>Polymer</i>. 2022;242:124589.","mla":"Dey, Subhayan, et al. “Oligo- and Polymerization of Phospha [2]Ferrocenophanes to One Dimensional Phosphorus Chains with Ferrocenylene Handles.” <i>Polymer</i>, vol. 242, 2022, p. 124589.","short":"S. Dey, D. Kargin, M.V. Höfler, B. Szathmari, C. Bruhn, T. Gutmann, Z. Kelemen, R. Pietschnig, Polymer 242 (2022) 124589.","bibtex":"@article{Dey_Kargin_Höfler_Szathmari_Bruhn_Gutmann_Kelemen_Pietschnig_2022, title={Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles}, volume={242}, journal={Polymer}, author={Dey, Subhayan and Kargin, Denis and Höfler, Mark V. and Szathmari, Balazs and Bruhn, Clemens and Gutmann, Torsten and Kelemen, Zsolt and Pietschnig, Rudolf}, year={2022}, pages={124589} }","apa":"Dey, S., Kargin, D., Höfler, M. V., Szathmari, B., Bruhn, C., Gutmann, T., Kelemen, Z., &#38; Pietschnig, R. (2022). Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles. <i>Polymer</i>, <i>242</i>, 124589."}},{"language":[{"iso":"eng"}],"extern":"1","keyword":["Solid state NMR","“Surfactant-free” platinum nanoparticles","CO oxidation","Particle size effect","Structure sensitivity"],"user_id":"100715","_id":"64018","status":"public","abstract":[{"lang":"eng","text":"CO oxidation is an extensively studied reaction in heterogeneous catalysis due to its seeming simplicity and its great importance for emission control. However, the role of particle size and more specifically structure sensitivity in this reaction is still controversial. In the present study, colloidal “surfactant-free” Pt nanoparticles (NPs) in a size regime of 1–4 nm with narrow size distribution and control over particle size were synthesized and subsequently supported on Al2O3 to prepare model catalysts. CO oxidation was performed using Pt NPs catalysts with particles sizes of 1, 2, 3, and 4 nm at different reaction temperatures. It is shown that the reaction exhibits a particle size effect that depends strongly on the reaction conditions. At 170 °C, the reaction seems to proceed within the same kinetic regime for all particle sizes, but the surface normalized activity depends strongly on the particle size, with maximum activity for nanoparticles 2 nm in diameter. A temperature increase to 200 °C leads to a change of the kinetic regime that depends on the particle size. For Pt NPs 1 nm in diameter a reaction order of 1 for O2 was observed, indicating that O2 adsorbs molecularly and dissociates in a following step, which represents the generally accepted mechanism on Pt surfaces. The reaction order of −1 for CO demonstrates that the surface is saturated with CO under reaction conditions. With increasing particle size, the reaction orders of O2 and CO change. For particles 2 nm in size, an increase in temperature also results in reaction orders of 1 for O2 and −1 for CO; NPs of 3 and 4 nm, even at higher temperatures, show no clear kinetic behavior that can be explained by a single reaction mechanism. Instead, the Boudouard reaction between two adjacent adsorbed CO molecules was identified as an important additional reaction pathway that occurs preferentially on large particles and causes more complex kinetics."}],"publication":"Journal of Catalysis","type":"journal_article","doi":"10.1016/j.jcat.2019.07.049","title":"Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts","volume":377,"date_created":"2026-02-07T16:02:06Z","author":[{"first_name":"Sarah","full_name":"Neumann, Sarah","last_name":"Neumann"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"},{"full_name":"Paul, Stephen","last_name":"Paul","first_name":"Stephen"},{"first_name":"Greg","last_name":"Thiele","full_name":"Thiele, Greg"},{"first_name":"Heiko","last_name":"Sievers","full_name":"Sievers, Heiko"},{"first_name":"Marcus","full_name":"Bäumer, Marcus","last_name":"Bäumer"},{"first_name":"Sebastian","full_name":"Kunz, Sebastian","last_name":"Kunz"}],"date_updated":"2026-02-17T16:14:45Z","page":"662–672","intvolume":"       377","citation":{"mla":"Neumann, Sarah, et al. “Insights into the Reaction Mechanism and Particle Size Effects of CO Oxidation over Supported Pt Nanoparticle Catalysts.” <i>Journal of Catalysis</i>, vol. 377, 2019, pp. 662–672, doi:<a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>.","bibtex":"@article{Neumann_Gutmann_Buntkowsky_Paul_Thiele_Sievers_Bäumer_Kunz_2019, title={Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts}, volume={377}, DOI={<a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>}, journal={Journal of Catalysis}, author={Neumann, Sarah and Gutmann, Torsten and Buntkowsky, Gerd and Paul, Stephen and Thiele, Greg and Sievers, Heiko and Bäumer, Marcus and Kunz, Sebastian}, year={2019}, pages={662–672} }","short":"S. Neumann, T. Gutmann, G. Buntkowsky, S. Paul, G. Thiele, H. Sievers, M. Bäumer, S. Kunz, Journal of Catalysis 377 (2019) 662–672.","apa":"Neumann, S., Gutmann, T., Buntkowsky, G., Paul, S., Thiele, G., Sievers, H., Bäumer, M., &#38; Kunz, S. (2019). Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts. <i>Journal of Catalysis</i>, <i>377</i>, 662–672. <a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">https://doi.org/10.1016/j.jcat.2019.07.049</a>","chicago":"Neumann, Sarah, Torsten Gutmann, Gerd Buntkowsky, Stephen Paul, Greg Thiele, Heiko Sievers, Marcus Bäumer, and Sebastian Kunz. “Insights into the Reaction Mechanism and Particle Size Effects of CO Oxidation over Supported Pt Nanoparticle Catalysts.” <i>Journal of Catalysis</i> 377 (2019): 662–672. <a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">https://doi.org/10.1016/j.jcat.2019.07.049</a>.","ieee":"S. Neumann <i>et al.</i>, “Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts,” <i>Journal of Catalysis</i>, vol. 377, pp. 662–672, 2019, doi: <a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>.","ama":"Neumann S, Gutmann T, Buntkowsky G, et al. Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts. <i>Journal of Catalysis</i>. 2019;377:662–672. doi:<a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>"},"year":"2019"},{"year":"2019","citation":{"ama":"Gutmann T, Groszewicz PB, Buntkowsky G. Solid-state NMR of nanocrystals. <i>Annual Reports on NMR Spectroscopy</i>. 2019;97:1–82. doi:<a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>","chicago":"Gutmann, Torsten, Pedro B. Groszewicz, and Gerd Buntkowsky. “Solid-State NMR of Nanocrystals.” <i>Annual Reports on NMR Spectroscopy</i> 97 (2019): 1–82. <a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">https://doi.org/10.1016/bs.arnmr.2018.12.001</a>.","ieee":"T. Gutmann, P. B. Groszewicz, and G. Buntkowsky, “Solid-state NMR of nanocrystals,” <i>Annual Reports on NMR Spectroscopy</i>, vol. 97, pp. 1–82, 2019, doi: <a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>.","apa":"Gutmann, T., Groszewicz, P. B., &#38; Buntkowsky, G. (2019). Solid-state NMR of nanocrystals. <i>Annual Reports on NMR Spectroscopy</i>, <i>97</i>, 1–82. <a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">https://doi.org/10.1016/bs.arnmr.2018.12.001</a>","bibtex":"@article{Gutmann_Groszewicz_Buntkowsky_2019, title={Solid-state NMR of nanocrystals}, volume={97}, DOI={<a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>}, journal={Annual Reports on NMR Spectroscopy}, author={Gutmann, Torsten and Groszewicz, Pedro B. and Buntkowsky, Gerd}, year={2019}, pages={1–82} }","short":"T. Gutmann, P.B. Groszewicz, G. Buntkowsky, Annual Reports on NMR Spectroscopy 97 (2019) 1–82.","mla":"Gutmann, Torsten, et al. “Solid-State NMR of Nanocrystals.” <i>Annual Reports on NMR Spectroscopy</i>, vol. 97, 2019, pp. 1–82, doi:<a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>."},"page":"1–82","intvolume":"        97","title":"Solid-state NMR of nanocrystals","doi":"10.1016/bs.arnmr.2018.12.001","date_updated":"2026-02-17T16:17:56Z","author":[{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"first_name":"Pedro B.","last_name":"Groszewicz","full_name":"Groszewicz, Pedro B."},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"}],"date_created":"2026-02-07T15:37:03Z","volume":97,"abstract":[{"lang":"eng","text":"Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy and dynamic nuclear polarization (DNP) of nanostructured materials are reviewed. A first group of materials is based on crystalline nanocellulose (CNC) or microcrystalline cellulose (MCC), which are used as carrier materials for dye molecules, catalysts or in combination with heterocyclic molecules as ion conducting membranes. These materials have widespread applications in sensorics, optics, catalysis or fuel cell research. A second group are metal oxides such as V-Mo-W oxides, which are of enormous importance in the manufacturing process of basic chemicals. The third group are catalytically active nanocrystalline metal nanoparticles, coated with protectants or embedded in polymers. The last group includes of lead-free perovskite materials, which are employed as environmentally benign substitution materials for conventional lead-based electronics materials. These materials are discussed in terms of their application and physico-chemical characterization by solid-state NMR techniques, combined with gas-phase NMR and quantum-chemical modelling on the density functional theory (DFT) level. The application of multinuclear 1H, 2H, 13C, 15N and 23Na solid state NMR techniques under static or MAS conditions for the characterization of these materials, their surfaces and processes on their surfaces is discussed. Moreover, the analytic power of the combination of these techniques with DNP for the identification of low-concentrated carbon and nitrogen containing surface species in natural abundance is reviewed. Finally, approaches for sensitivity enhancement by DNP of quadrupolar nuclei such as 17O and 51V are presented that enable the identification of catalytic sites in metal oxide catalysts."}],"status":"public","type":"journal_article","publication":"Annual Reports on NMR Spectroscopy","keyword":["solid-state nmr","heterogeneous catalysis","dynamic nuclear polarization","Ferroelectrics","Nanocatalysis","Surface reactions"],"extern":"1","language":[{"iso":"eng"}],"_id":"63960","user_id":"100715"},{"abstract":[{"text":"The utilization and preparation of functional hybrid films for optical sensing applications and membranes is of utmost importance. In this work, we report the convenient and scalable preparation of self-crosslinking particle-based films derived by directed self-assembly of alkoxysilane-based cross-linkers as part of a core-shell particle architecture. The synthesis of well-designed monodisperse core-shell particles by emulsion polymerization is the basic prerequisite for subsequent particle processing via the melt-shear organization technique. In more detail, the core particles consist of polystyrene (PS) or poly(methyl methacrylate) (PMMA), while the comparably soft particle shell consists of poly(ethyl acrylate) (PEA) and different alkoxysilane-based poly(methacrylate)s. For hybrid film formation and convenient self-cross-linking, different alkyl groups at the siloxane moieties were investigated in detail by solid-state Magic-Angle Spinning Nuclear Magnetic Resonance (MAS, NMR) spectroscopy revealing different crosslinking capabilities, which strongly influence the properties of the core or shell particle films with respect to transparency and iridescent reflection colors. Furthermore, solid-state NMR spectroscopy and investigation of the thermal properties by differential scanning calorimetry (DSC) measurements allow for insights into the cross-linking capabilities prior to and after synthesis, as well as after the thermally and pressure-induced processing steps. Subsequently, free-standing and self-crosslinked particle-based films featuring excellent particle order are obtained by application of the melt-shear organization technique, as shown by microscopy (TEM, SEM).","lang":"eng"}],"status":"public","type":"journal_article","publication":"Nanomaterials","keyword":["Materials Science","Science & Technology - Other Topics","solid-state nmr","spectroscopy","catalysts","colloidal crystals","colloids","cross-linking","elastomeric opal films","emulsion polymerization","gamma-methacryloxypropyltrimethoxysilane","hybrid films","melt-shear organization","nanoparticles","particle","photons","polymers","processing","self-assembly","transition"],"language":[{"iso":"eng"}],"extern":"1","_id":"64053","user_id":"100715","year":"2017","citation":{"ama":"Vowinkel S, Paul S, Gutmann T, Gallei M. Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing. <i>Nanomaterials</i>. 2017;7(11):390. doi:<a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>","chicago":"Vowinkel, S., S. Paul, Torsten Gutmann, and M. Gallei. “Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing.” <i>Nanomaterials</i> 7, no. 11 (2017): 390. <a href=\"https://doi.org/10.3390/nano7110390\">https://doi.org/10.3390/nano7110390</a>.","ieee":"S. Vowinkel, S. Paul, T. Gutmann, and M. Gallei, “Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing,” <i>Nanomaterials</i>, vol. 7, no. 11, p. 390, 2017, doi: <a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>.","apa":"Vowinkel, S., Paul, S., Gutmann, T., &#38; Gallei, M. (2017). Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing. <i>Nanomaterials</i>, <i>7</i>(11), 390. <a href=\"https://doi.org/10.3390/nano7110390\">https://doi.org/10.3390/nano7110390</a>","mla":"Vowinkel, S., et al. “Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing.” <i>Nanomaterials</i>, vol. 7, no. 11, 2017, p. 390, doi:<a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>.","bibtex":"@article{Vowinkel_Paul_Gutmann_Gallei_2017, title={Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing}, volume={7}, DOI={<a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>}, number={11}, journal={Nanomaterials}, author={Vowinkel, S. and Paul, S. and Gutmann, Torsten and Gallei, M.}, year={2017}, pages={390} }","short":"S. Vowinkel, S. Paul, T. Gutmann, M. Gallei, Nanomaterials 7 (2017) 390."},"intvolume":"         7","page":"390","publication_identifier":{"issn":["2079-4991"]},"issue":"11","title":"Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing","doi":"10.3390/nano7110390","date_updated":"2026-02-17T16:12:54Z","date_created":"2026-02-07T16:15:23Z","author":[{"first_name":"S.","last_name":"Vowinkel","full_name":"Vowinkel, S."},{"first_name":"S.","last_name":"Paul","full_name":"Paul, S."},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"full_name":"Gallei, M.","last_name":"Gallei","first_name":"M."}],"volume":7},{"type":"journal_article","publication":"Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics","abstract":[{"text":"The synthesis of novel robust and stable iridium-based immobilized catalysts on silica-polymer hybrid materials (Si-PB-Ir) is described. These catalysts are characterized by a combination of 1D P-31 CP-MAS and 2D P-31-H-1 HETCOR and J-resolved multinuclear solid state NMR experiments. Different binding situations such as singly and multiply coordinated phosphines are identified. Density functional theory (DFT) calculations are performed to corroborate the interpretation of the experimental NMR data, in order to propose a structural model of the heterogenized catalysts. Finally, the catalytic activity of the Si-PB-Ir catalysts is investigated for the hydrogenation of styrene employing para-enriched hydrogen gas.","lang":"eng"}],"status":"public","_id":"63956","user_id":"100715","keyword":["Chemistry","dynamic nuclear-polarization","solid-state nmr","DFT","heterogeneous catalysis","hydrido complexes","hydrogenation","immobilized catalyst","inorganic hybrid","iridium","materials","mesoporous","molecular-orbital methods","PHIP","phosphine complexes","reusable catalysts","silica","solid-state-NMR","wilkinsons catalyst"],"extern":"1","language":[{"iso":"eng"}],"publication_identifier":{"issn":["0942-9352"]},"issue":"3","year":"2017","citation":{"apa":"Gutmann, T., Alkhagani, S., Rothermel, N., Limbach, H. H., Breitzke, H., &#38; Buntkowsky, G. (2017). P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts. <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>, <i>231</i>(3), 653–669. <a href=\"https://doi.org/10.1515/zpch-2016-0837\">https://doi.org/10.1515/zpch-2016-0837</a>","bibtex":"@article{Gutmann_Alkhagani_Rothermel_Limbach_Breitzke_Buntkowsky_2017, title={P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts}, volume={231}, DOI={<a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>}, number={3}, journal={Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics}, author={Gutmann, Torsten and Alkhagani, S. and Rothermel, N. and Limbach, H. H. and Breitzke, H. and Buntkowsky, G.}, year={2017}, pages={653–669} }","mla":"Gutmann, Torsten, et al. “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel Heterogenized Iridium-Catalysts.” <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>, vol. 231, no. 3, 2017, pp. 653–669, doi:<a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>.","short":"T. Gutmann, S. Alkhagani, N. Rothermel, H.H. Limbach, H. Breitzke, G. Buntkowsky, Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics 231 (2017) 653–669.","ama":"Gutmann T, Alkhagani S, Rothermel N, Limbach HH, Breitzke H, Buntkowsky G. P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts. <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>. 2017;231(3):653–669. doi:<a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>","ieee":"T. Gutmann, S. Alkhagani, N. Rothermel, H. H. Limbach, H. Breitzke, and G. Buntkowsky, “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts,” <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>, vol. 231, no. 3, pp. 653–669, 2017, doi: <a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>.","chicago":"Gutmann, Torsten, S. Alkhagani, N. Rothermel, H. H. Limbach, H. Breitzke, and G. Buntkowsky. “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel Heterogenized Iridium-Catalysts.” <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i> 231, no. 3 (2017): 653–669. <a href=\"https://doi.org/10.1515/zpch-2016-0837\">https://doi.org/10.1515/zpch-2016-0837</a>."},"intvolume":"       231","page":"653–669","date_updated":"2026-02-17T16:18:04Z","author":[{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"S.","full_name":"Alkhagani, S.","last_name":"Alkhagani"},{"first_name":"N.","last_name":"Rothermel","full_name":"Rothermel, N."},{"first_name":"H. H.","last_name":"Limbach","full_name":"Limbach, H. H."},{"full_name":"Breitzke, H.","last_name":"Breitzke","first_name":"H."},{"full_name":"Buntkowsky, G.","last_name":"Buntkowsky","first_name":"G."}],"date_created":"2026-02-07T15:35:41Z","volume":231,"title":"P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts","doi":"10.1515/zpch-2016-0837"},{"doi":"10.1021/acs.jpcc.7b02535","title":"Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst","author":[{"full_name":"Ahrem, L.","last_name":"Ahrem","first_name":"L."},{"last_name":"Scholz","full_name":"Scholz, G.","first_name":"G."},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"first_name":"B.","last_name":"Calvo","full_name":"Calvo, B."},{"first_name":"G.","full_name":"Buntkowsky, G.","last_name":"Buntkowsky"},{"first_name":"E.","last_name":"Kemnitz","full_name":"Kemnitz, E."}],"date_created":"2026-02-07T08:56:18Z","volume":121,"date_updated":"2026-02-17T16:19:24Z","citation":{"apa":"Ahrem, L., Scholz, G., Gutmann, T., Calvo, B., Buntkowsky, G., &#38; Kemnitz, E. (2017). Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst. <i>Journal of Physical Chemistry C</i>, <i>121</i>(22), 12206–12213. <a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">https://doi.org/10.1021/acs.jpcc.7b02535</a>","short":"L. Ahrem, G. Scholz, T. Gutmann, B. Calvo, G. Buntkowsky, E. Kemnitz, Journal of Physical Chemistry C 121 (2017) 12206–12213.","mla":"Ahrem, L., et al. “Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst.” <i>Journal of Physical Chemistry C</i>, vol. 121, no. 22, 2017, pp. 12206–12213, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>.","bibtex":"@article{Ahrem_Scholz_Gutmann_Calvo_Buntkowsky_Kemnitz_2017, title={Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst}, volume={121}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>}, number={22}, journal={Journal of Physical Chemistry C}, author={Ahrem, L. and Scholz, G. and Gutmann, Torsten and Calvo, B. and Buntkowsky, G. and Kemnitz, E.}, year={2017}, pages={12206–12213} }","ama":"Ahrem L, Scholz G, Gutmann T, Calvo B, Buntkowsky G, Kemnitz E. Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst. <i>Journal of Physical Chemistry C</i>. 2017;121(22):12206–12213. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>","ieee":"L. Ahrem, G. Scholz, T. Gutmann, B. Calvo, G. Buntkowsky, and E. Kemnitz, “Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst,” <i>Journal of Physical Chemistry C</i>, vol. 121, no. 22, pp. 12206–12213, 2017, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>.","chicago":"Ahrem, L., G. Scholz, Torsten Gutmann, B. Calvo, G. Buntkowsky, and E. Kemnitz. “Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst.” <i>Journal of Physical Chemistry C</i> 121, no. 22 (2017): 12206–12213. <a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">https://doi.org/10.1021/acs.jpcc.7b02535</a>."},"page":"12206–12213","intvolume":"       121","year":"2017","issue":"22","publication_identifier":{"issn":["1932-7447"]},"language":[{"iso":"eng"}],"extern":"1","keyword":["al-27 nmr","characterization","Chemistry","cross-polarization","dynamic nuclear-polarization","eta-alumina","gamma-alumina","hydroxy fluorides","ions","Materials Science","pentacoordinated al3+","Science & Technology - Other Topics","solid-state nmr","spectroscopic","structural insights"],"user_id":"100715","_id":"63920","status":"public","abstract":[{"lang":"eng","text":"Coordinatively unsaturated sites (CUS) present a key feature of alumina based catalysts as they are believed to act as Lewis-acid sites in heterogeneously catalyzed reactions. In the present study, the direct observation of active species on a fluoride-doped aluminum oxide catalyst is demonstrated. This new fluoride-doped aluminum oxide exhibits strong Lewis-acid sites and superior catalytic activity as compared to gamma-Al2O3. To emphasize the labile state of Lewis-acid sites, two distinctive states of the catalysts surface are addressed using H-1-Al-27 cross polarization (CP) MAS NMR. On the one hand, the highly dehydrated and active state after calcination at 700 degrees C and on the other hand the rehydrated and catalytically inactive surface (produced by contact to air) are probed. These experiments revealed the presence of significant amounts of coordinatively unsaturated sites in the form of 4-and 5-fold coordinated Al-sites on the highly dehydrated surface. In contrast to this, the rehydrated sample exhibited a severely restructured surface caused by the chemisorption of H2O which is ’constituted in a manner that was proposed in earlier models for gamma-Al2O3 surfaces."}],"type":"journal_article","publication":"Journal of Physical Chemistry C"}]