[{"title":"Complementary Analysis of Cyclic Voltammograms and Impedance Spectra of Porous Carbon Electrodes","doi":"10.1109/iwis63047.2024.10847115","publisher":"IEEE","date_updated":"2026-01-19T15:41:43Z","author":[{"last_name":"Reinke","id":"117727","full_name":"Reinke, Sebastian","first_name":"Sebastian"},{"first_name":"Vera","last_name":"Khamitsevich","full_name":"Khamitsevich, Vera"},{"first_name":"Julia","orcid":"0000-0001-6883-5424","last_name":"Linnemann","full_name":"Linnemann, Julia","id":"116779"}],"date_created":"2025-12-03T16:06:09Z","year":"2025","citation":{"apa":"Reinke, S., Khamitsevich, V., & Linnemann, J. (2025). Complementary Analysis of Cyclic Voltammograms and Impedance Spectra of Porous Carbon Electrodes. 2024 International Workshop on Impedance Spectroscopy (IWIS). https://doi.org/10.1109/iwis63047.2024.10847115","bibtex":"@inproceedings{Reinke_Khamitsevich_Linnemann_2025, title={Complementary Analysis of Cyclic Voltammograms and Impedance Spectra of Porous Carbon Electrodes}, DOI={10.1109/iwis63047.2024.10847115}, booktitle={2024 International Workshop on Impedance Spectroscopy (IWIS)}, publisher={IEEE}, author={Reinke, Sebastian and Khamitsevich, Vera and Linnemann, Julia}, year={2025} }","short":"S. Reinke, V. Khamitsevich, J. Linnemann, in: 2024 International Workshop on Impedance Spectroscopy (IWIS), IEEE, 2025.","mla":"Reinke, Sebastian, et al. “Complementary Analysis of Cyclic Voltammograms and Impedance Spectra of Porous Carbon Electrodes.” 2024 International Workshop on Impedance Spectroscopy (IWIS), IEEE, 2025, doi:10.1109/iwis63047.2024.10847115.","chicago":"Reinke, Sebastian, Vera Khamitsevich, and Julia Linnemann. “Complementary Analysis of Cyclic Voltammograms and Impedance Spectra of Porous Carbon Electrodes.” In 2024 International Workshop on Impedance Spectroscopy (IWIS). IEEE, 2025. https://doi.org/10.1109/iwis63047.2024.10847115.","ieee":"S. Reinke, V. Khamitsevich, and J. Linnemann, “Complementary Analysis of Cyclic Voltammograms and Impedance Spectra of Porous Carbon Electrodes,” 2025, doi: 10.1109/iwis63047.2024.10847115.","ama":"Reinke S, Khamitsevich V, Linnemann J. Complementary Analysis of Cyclic Voltammograms and Impedance Spectra of Porous Carbon Electrodes. In: 2024 International Workshop on Impedance Spectroscopy (IWIS). IEEE; 2025. doi:10.1109/iwis63047.2024.10847115"},"publication_status":"published","quality_controlled":"1","keyword":["electrochemical impedance spectroscopy","distorted cyclic voltammograms","supercapacitors","carbon"],"extern":"1","language":[{"iso":"eng"}],"_id":"62814","user_id":"116779","department":[{"_id":"985"}],"abstract":[{"text":"Porous carbons are prominent electrode materials in energy storage applications such as supercapacitors. However, rational materials development is hampered by difficulties in interpreting electrochemical impedance spectra (EIS) and drawing conclusions about promising aspects of device improvement. Here, we characterized electrodes consisting of activated carbon with polyacrylic acid binder in four different concentrations of sulfuric acid, using cyclic voltammetry and electrochemical impedance spectroscopy. Both datasets were evaluated with simple equivalent circuits and comparatively analyzed. Conductivity of the electrolyte was independently measured. Cyclic voltammograms (CV) show larger resistance and capacitance at low scan rates. Resistances obtained from EIS are in good agreement with those obtained by cyclic voltammograms particularly at high scan rates. The comparison against specific electrolyte resistance can reveal whether resistances within the solid electrode architecture or resistances within the electrolyte, partially confined by pores, are the dominant cause of increased resistance at low scan rate. Comparison between CV and EIS points to the main electrode capacitance being described by a constant phase element (CPE) used to fit the low-frequency region of EIS.","lang":"eng"}],"status":"public","type":"conference","publication":"2024 International Workshop on Impedance Spectroscopy (IWIS)"},{"_id":"50150","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"user_id":"67287","keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"],"article_number":"7226","language":[{"iso":"eng"}],"publication":"International Journal of Molecular Sciences","type":"journal_article","abstract":[{"lang":"eng","text":"Covalent peptidomimetic protease inhibitors have gained a lot of attention in drug development in recent years. They are designed to covalently bind the catalytically active amino acids through electrophilic groups called warheads. Covalent inhibition has an advantage in terms of pharmacodynamic properties but can also bear toxicity risks due to non-selective off-target protein binding. Therefore, the right combination of a reactive warhead with a well-suited peptidomimetic sequence is of great importance. Herein, the selectivities of well-known warheads combined with peptidomimetic sequences suited for five different proteases were investigated, highlighting the impact of both structure parts (warhead and peptidomimetic sequence) for affinity and selectivity. Molecular docking gave insights into the predicted binding modes of the inhibitors inside the binding pockets of the different enzymes. Moreover, the warheads were investigated by NMR and LC-MS reactivity assays against serine/threonine and cysteine nucleophile models, as well as by quantum mechanics simulations."}],"status":"public","publisher":"MDPI AG","date_updated":"2024-01-05T12:59:32Z","volume":24,"author":[{"full_name":"Müller, Patrick","last_name":"Müller","first_name":"Patrick"},{"first_name":"Mergim","full_name":"Meta, Mergim","last_name":"Meta"},{"last_name":"Meidner","full_name":"Meidner, Jan Laurenz","first_name":"Jan Laurenz"},{"first_name":"Marvin","last_name":"Schwickert","full_name":"Schwickert, Marvin"},{"first_name":"Jessica","full_name":"Meyr, Jessica","last_name":"Meyr"},{"first_name":"Kevin","last_name":"Schwickert","full_name":"Schwickert, Kevin"},{"first_name":"Christian","last_name":"Kersten","full_name":"Kersten, Christian"},{"first_name":"Collin","last_name":"Zimmer","full_name":"Zimmer, Collin"},{"first_name":"Stefan Josef","full_name":"Hammerschmidt, Stefan Josef","last_name":"Hammerschmidt"},{"first_name":"Ariane","full_name":"Frey, Ariane","last_name":"Frey"},{"first_name":"Albin","last_name":"Lahu","full_name":"Lahu, Albin"},{"first_name":"Sergio","last_name":"de la Hoz-Rodríguez","full_name":"de la Hoz-Rodríguez, Sergio"},{"last_name":"Agost-Beltrán","full_name":"Agost-Beltrán, Laura","first_name":"Laura"},{"full_name":"Rodríguez, Santiago","last_name":"Rodríguez","first_name":"Santiago"},{"full_name":"Diemer, Kira","last_name":"Diemer","first_name":"Kira"},{"full_name":"Neumann, Wilhelm","last_name":"Neumann","first_name":"Wilhelm"},{"last_name":"Gonzàlez","full_name":"Gonzàlez, Florenci V.","first_name":"Florenci V."},{"first_name":"Bernd","full_name":"Engels, Bernd","last_name":"Engels"},{"first_name":"Tanja","full_name":"Schirmeister, Tanja","last_name":"Schirmeister"}],"date_created":"2024-01-04T08:24:31Z","title":"Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study","doi":"10.3390/ijms24087226","publication_identifier":{"issn":["1422-0067"]},"publication_status":"published","issue":"8","year":"2023","intvolume":" 24","citation":{"apa":"Müller, P., Meta, M., Meidner, J. L., Schwickert, M., Meyr, J., Schwickert, K., Kersten, C., Zimmer, C., Hammerschmidt, S. J., Frey, A., Lahu, A., de la Hoz-Rodríguez, S., Agost-Beltrán, L., Rodríguez, S., Diemer, K., Neumann, W., Gonzàlez, F. V., Engels, B., & Schirmeister, T. (2023). Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study. International Journal of Molecular Sciences, 24(8), Article 7226. https://doi.org/10.3390/ijms24087226","mla":"Müller, Patrick, et al. “Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study.” International Journal of Molecular Sciences, vol. 24, no. 8, 7226, MDPI AG, 2023, doi:10.3390/ijms24087226.","short":"P. Müller, M. Meta, J.L. Meidner, M. Schwickert, J. Meyr, K. Schwickert, C. Kersten, C. Zimmer, S.J. Hammerschmidt, A. Frey, A. Lahu, S. de la Hoz-Rodríguez, L. Agost-Beltrán, S. Rodríguez, K. Diemer, W. Neumann, F.V. Gonzàlez, B. Engels, T. Schirmeister, International Journal of Molecular Sciences 24 (2023).","bibtex":"@article{Müller_Meta_Meidner_Schwickert_Meyr_Schwickert_Kersten_Zimmer_Hammerschmidt_Frey_et al._2023, title={Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study}, volume={24}, DOI={10.3390/ijms24087226}, number={87226}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Müller, Patrick and Meta, Mergim and Meidner, Jan Laurenz and Schwickert, Marvin and Meyr, Jessica and Schwickert, Kevin and Kersten, Christian and Zimmer, Collin and Hammerschmidt, Stefan Josef and Frey, Ariane and et al.}, year={2023} }","ama":"Müller P, Meta M, Meidner JL, et al. Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study. International Journal of Molecular Sciences. 2023;24(8). doi:10.3390/ijms24087226","chicago":"Müller, Patrick, Mergim Meta, Jan Laurenz Meidner, Marvin Schwickert, Jessica Meyr, Kevin Schwickert, Christian Kersten, et al. “Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study.” International Journal of Molecular Sciences 24, no. 8 (2023). https://doi.org/10.3390/ijms24087226.","ieee":"P. Müller et al., “Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study,” International Journal of Molecular Sciences, vol. 24, no. 8, Art. no. 7226, 2023, doi: 10.3390/ijms24087226."}},{"language":[{"iso":"eng"}],"article_number":"147317","keyword":["Physical and Theoretical Chemistry","Spectroscopy","Condensed Matter Physics","Atomic and Molecular Physics","and Optics","Radiation","Electronic","Optical and Magnetic Materials"],"user_id":"54556","department":[{"_id":"302"}],"_id":"46480","status":"public","type":"journal_article","publication":"Journal of Electron Spectroscopy and Related Phenomena","doi":"10.1016/j.elspec.2023.147317","title":"UV-enhanced environmental charge compensation in near ambient pressure XPS","date_created":"2023-08-11T14:11:57Z","author":[{"full_name":"Müller, Hendrik","last_name":"Müller","first_name":"Hendrik"},{"last_name":"Weinberger","full_name":"Weinberger, Christian","id":"11848","first_name":"Christian"},{"full_name":"Grundmeier, Guido","id":"194","last_name":"Grundmeier","first_name":"Guido"},{"last_name":"de los Arcos de Pedro","id":"54556","full_name":"de los Arcos de Pedro, Maria Teresa","first_name":"Maria Teresa"}],"volume":264,"date_updated":"2023-08-11T14:13:19Z","publisher":"Elsevier BV","citation":{"ama":"Müller H, Weinberger C, Grundmeier G, de los Arcos de Pedro MT. UV-enhanced environmental charge compensation in near ambient pressure XPS. Journal of Electron Spectroscopy and Related Phenomena. 2023;264. doi:10.1016/j.elspec.2023.147317","chicago":"Müller, Hendrik, Christian Weinberger, Guido Grundmeier, and Maria Teresa de los Arcos de Pedro. “UV-Enhanced Environmental Charge Compensation in near Ambient Pressure XPS.” Journal of Electron Spectroscopy and Related Phenomena 264 (2023). https://doi.org/10.1016/j.elspec.2023.147317.","ieee":"H. Müller, C. Weinberger, G. Grundmeier, and M. T. de los Arcos de Pedro, “UV-enhanced environmental charge compensation in near ambient pressure XPS,” Journal of Electron Spectroscopy and Related Phenomena, vol. 264, Art. no. 147317, 2023, doi: 10.1016/j.elspec.2023.147317.","apa":"Müller, H., Weinberger, C., Grundmeier, G., & de los Arcos de Pedro, M. T. (2023). UV-enhanced environmental charge compensation in near ambient pressure XPS. Journal of Electron Spectroscopy and Related Phenomena, 264, Article 147317. https://doi.org/10.1016/j.elspec.2023.147317","bibtex":"@article{Müller_Weinberger_Grundmeier_de los Arcos de Pedro_2023, title={UV-enhanced environmental charge compensation in near ambient pressure XPS}, volume={264}, DOI={10.1016/j.elspec.2023.147317}, number={147317}, journal={Journal of Electron Spectroscopy and Related Phenomena}, publisher={Elsevier BV}, author={Müller, Hendrik and Weinberger, Christian and Grundmeier, Guido and de los Arcos de Pedro, Maria Teresa}, year={2023} }","mla":"Müller, Hendrik, et al. “UV-Enhanced Environmental Charge Compensation in near Ambient Pressure XPS.” Journal of Electron Spectroscopy and Related Phenomena, vol. 264, 147317, Elsevier BV, 2023, doi:10.1016/j.elspec.2023.147317.","short":"H. Müller, C. Weinberger, G. Grundmeier, M.T. de los Arcos de Pedro, Journal of Electron Spectroscopy and Related Phenomena 264 (2023)."},"intvolume":" 264","year":"2023","publication_status":"published","publication_identifier":{"issn":["0368-2048"]}},{"abstract":[{"lang":"eng","text":"The influence of nanoscale surface topography on protein adsorption is highly important for numerous applications in medicine and technology. Herein, ferritin adsorption at flat and nanofaceted, single-crystalline Al2O3 surfaces is investigated using atomic force microscopy and X-ray photoelectron spectroscopy. The nanofaceted surfaces are generated by the thermal annealing of Al2O3 wafers at temperatures above 1000 °C, which leads to the formation of faceted saw-tooth-like surface topographies with periodicities of about 160 nm and amplitudes of about 15 nm. Ferritin adsorption at these nanofaceted surfaces is notably suppressed compared to the flat surface at a concentration of 10 mg/mL, which is attributed to lower adsorption affinities of the newly formed facets. Consequently, adsorption is restricted mostly to the pattern grooves, where the proteins can maximize their contact area with the surface. However, this effect depends on the protein concentration, with an inverse trend being observed at 30 mg/mL. Furthermore, different ferritin adsorption behavior is observed at topographically similar nanofacet patterns fabricated at different annealing temperatures and attributed to different step and kink densities. These results demonstrate that while protein adsorption at solid surfaces can be notably affected by nanofacet patterns, fine-tuning protein adsorption in this way requires the precise control of facet properties."}],"status":"public","type":"journal_article","publication":"International Journal of Molecular Sciences","article_number":"12808","keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"],"language":[{"iso":"eng"}],"_id":"46543","user_id":"48864","department":[{"_id":"302"}],"year":"2023","citation":{"apa":"Pothineni, B. K., Kollmann, S., Li, X., Grundmeier, G., Erb, D. J., & Keller, A. (2023). Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces. International Journal of Molecular Sciences, 24(16), Article 12808. https://doi.org/10.3390/ijms241612808","short":"B.K. Pothineni, S. Kollmann, X. Li, G. Grundmeier, D.J. Erb, A. Keller, International Journal of Molecular Sciences 24 (2023).","mla":"Pothineni, Bhanu K., et al. “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces.” International Journal of Molecular Sciences, vol. 24, no. 16, 12808, MDPI AG, 2023, doi:10.3390/ijms241612808.","bibtex":"@article{Pothineni_Kollmann_Li_Grundmeier_Erb_Keller_2023, title={Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces}, volume={24}, DOI={10.3390/ijms241612808}, number={1612808}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Pothineni, Bhanu K. and Kollmann, Sabrina and Li, Xinyang and Grundmeier, Guido and Erb, Denise J. and Keller, Adrian}, year={2023} }","chicago":"Pothineni, Bhanu K., Sabrina Kollmann, Xinyang Li, Guido Grundmeier, Denise J. Erb, and Adrian Keller. “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces.” International Journal of Molecular Sciences 24, no. 16 (2023). https://doi.org/10.3390/ijms241612808.","ieee":"B. K. Pothineni, S. Kollmann, X. Li, G. Grundmeier, D. J. Erb, and A. Keller, “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces,” International Journal of Molecular Sciences, vol. 24, no. 16, Art. no. 12808, 2023, doi: 10.3390/ijms241612808.","ama":"Pothineni BK, Kollmann S, Li X, Grundmeier G, Erb DJ, Keller A. Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces. International Journal of Molecular Sciences. 2023;24(16). doi:10.3390/ijms241612808"},"intvolume":" 24","publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"issue":"16","title":"Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces","doi":"10.3390/ijms241612808","date_updated":"2023-08-16T10:53:00Z","publisher":"MDPI AG","date_created":"2023-08-16T10:52:25Z","author":[{"full_name":"Pothineni, Bhanu K.","last_name":"Pothineni","first_name":"Bhanu K."},{"first_name":"Sabrina","full_name":"Kollmann, Sabrina","last_name":"Kollmann"},{"first_name":"Xinyang","full_name":"Li, Xinyang","last_name":"Li"},{"last_name":"Grundmeier","full_name":"Grundmeier, Guido","id":"194","first_name":"Guido"},{"first_name":"Denise J.","last_name":"Erb","full_name":"Erb, Denise J."},{"first_name":"Adrian","full_name":"Keller, Adrian","id":"48864","orcid":"0000-0001-7139-3110","last_name":"Keller"}],"volume":24},{"department":[{"_id":"985"}],"user_id":"116779","_id":"62812","extern":"1","language":[{"iso":"eng"}],"keyword":["electrochemical impedance spectroscopy","supercapacitors","carbon"],"publication":"2023 International Workshop on Impedance Spectroscopy (IWIS)","type":"conference","status":"public","abstract":[{"lang":"eng","text":"Attributing features of electrochemical impedance spectra to electrochemical phenomena is both crucial and frequently ambiguous. To elucidate the origin of the ohmic part of the spectrum, activated carbon electrodes were prepared with different contents of polyacrylic acid as binder. Their impedance spectra and cyclic voltammograms were recorded using sulfuric acid of five different concentrations as the electrolyte. To distinguish electrolyte resistance and resistances related to the activated carbon layer of the electrode, the specific electrolyte conductivity was independently measured and compared against the ohmic part of the electrochemical impedance spectra (EIS). The capacitive cyclic voltammograms show larger resistive contributions with higher scan rate and lower electrolyte conductivity. Comparing the ohmic part of the EIS to the specific resistance of the electrolyte, a linear function with no statistically significant offset was found. The ohmic part of the EIS, thus, reflects the electrolyte resistance, not that of the carbon electrode."}],"date_created":"2025-12-03T15:58:28Z","author":[{"first_name":"Sebastian","last_name":"Reinke","full_name":"Reinke, Sebastian","id":"117727"},{"full_name":"Khamitsevich, Vera","last_name":"Khamitsevich","first_name":"Vera"},{"id":"117786","full_name":"Röth, Oliver","last_name":"Röth","first_name":"Oliver"},{"first_name":"Julia","id":"116779","full_name":"Linnemann, Julia","orcid":"0000-0001-6883-5424","last_name":"Linnemann"}],"publisher":"IEEE","date_updated":"2026-01-19T15:40:41Z","doi":"10.1109/iwis61214.2023.10302764","title":"Assessment of the Physicochemical Meaning of the Ohmic Series Resistance Observed for High Frequencies in Electrochemical Impedance Spectra","quality_controlled":"1","publication_status":"published","citation":{"apa":"Reinke, S., Khamitsevich, V., Röth, O., & Linnemann, J. (2023). Assessment of the Physicochemical Meaning of the Ohmic Series Resistance Observed for High Frequencies in Electrochemical Impedance Spectra. 2023 International Workshop on Impedance Spectroscopy (IWIS). https://doi.org/10.1109/iwis61214.2023.10302764","mla":"Reinke, Sebastian, et al. “Assessment of the Physicochemical Meaning of the Ohmic Series Resistance Observed for High Frequencies in Electrochemical Impedance Spectra.” 2023 International Workshop on Impedance Spectroscopy (IWIS), IEEE, 2023, doi:10.1109/iwis61214.2023.10302764.","short":"S. Reinke, V. Khamitsevich, O. Röth, J. Linnemann, in: 2023 International Workshop on Impedance Spectroscopy (IWIS), IEEE, 2023.","bibtex":"@inproceedings{Reinke_Khamitsevich_Röth_Linnemann_2023, title={Assessment of the Physicochemical Meaning of the Ohmic Series Resistance Observed for High Frequencies in Electrochemical Impedance Spectra}, DOI={10.1109/iwis61214.2023.10302764}, booktitle={2023 International Workshop on Impedance Spectroscopy (IWIS)}, publisher={IEEE}, author={Reinke, Sebastian and Khamitsevich, Vera and Röth, Oliver and Linnemann, Julia}, year={2023} }","ama":"Reinke S, Khamitsevich V, Röth O, Linnemann J. Assessment of the Physicochemical Meaning of the Ohmic Series Resistance Observed for High Frequencies in Electrochemical Impedance Spectra. In: 2023 International Workshop on Impedance Spectroscopy (IWIS). IEEE; 2023. doi:10.1109/iwis61214.2023.10302764","ieee":"S. Reinke, V. Khamitsevich, O. Röth, and J. Linnemann, “Assessment of the Physicochemical Meaning of the Ohmic Series Resistance Observed for High Frequencies in Electrochemical Impedance Spectra,” 2023, doi: 10.1109/iwis61214.2023.10302764.","chicago":"Reinke, Sebastian, Vera Khamitsevich, Oliver Röth, and Julia Linnemann. “Assessment of the Physicochemical Meaning of the Ohmic Series Resistance Observed for High Frequencies in Electrochemical Impedance Spectra.” In 2023 International Workshop on Impedance Spectroscopy (IWIS). IEEE, 2023. https://doi.org/10.1109/iwis61214.2023.10302764."},"year":"2023"},{"publication_identifier":{"issn":["1864-5631"]},"intvolume":" 16","page":"e202202241","citation":{"chicago":"Šić, Edina, Jochen Rohrer, Emmanuel Ricohermoso, Karsten Albe, Emmanuel Ionescu, Ralf Riedel, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations.” Chemsuschem 16 (2023): e202202241. https://doi.org/10.1002/cssc.202202241.","ieee":"E. Šić et al., “SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations,” Chemsuschem, vol. 16, p. e202202241, 2023, doi: 10.1002/cssc.202202241.","ama":"Šić E, Rohrer J, Ricohermoso E, et al. SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations. Chemsuschem. 2023;16:e202202241. doi:10.1002/cssc.202202241","apa":"Šić, E., Rohrer, J., Ricohermoso, E., Albe, K., Ionescu, E., Riedel, R., Breitzke, H., Gutmann, T., & Buntkowsky, G. (2023). SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations. Chemsuschem, 16, e202202241. https://doi.org/10.1002/cssc.202202241","mla":"Šić, Edina, et al. “SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations.” Chemsuschem, vol. 16, John Wiley & Sons, Ltd, 2023, p. e202202241, doi:10.1002/cssc.202202241.","short":"E. Šić, J. Rohrer, E. Ricohermoso, K. Albe, E. Ionescu, R. Riedel, H. Breitzke, T. Gutmann, G. Buntkowsky, Chemsuschem 16 (2023) e202202241.","bibtex":"@article{Šić_Rohrer_Ricohermoso_Albe_Ionescu_Riedel_Breitzke_Gutmann_Buntkowsky_2023, title={SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations}, volume={16}, DOI={10.1002/cssc.202202241}, journal={Chemsuschem}, publisher={John Wiley & Sons, Ltd}, author={Šić, Edina and Rohrer, Jochen and Ricohermoso, Emmanuel and Albe, Karsten and Ionescu, Emmanuel and Riedel, Ralf and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2023}, pages={e202202241} }"},"year":"2023","volume":16,"author":[{"full_name":"Šić, Edina","last_name":"Šić","first_name":"Edina"},{"last_name":"Rohrer","full_name":"Rohrer, Jochen","first_name":"Jochen"},{"first_name":"Emmanuel","full_name":"Ricohermoso, Emmanuel","last_name":"Ricohermoso"},{"full_name":"Albe, Karsten","last_name":"Albe","first_name":"Karsten"},{"first_name":"Emmanuel","last_name":"Ionescu","full_name":"Ionescu, Emmanuel"},{"first_name":"Ralf","last_name":"Riedel","full_name":"Riedel, Ralf"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"date_created":"2026-02-07T16:11:46Z","publisher":"John Wiley & Sons, Ltd","date_updated":"2026-02-17T16:13:11Z","doi":"10.1002/cssc.202202241","title":"SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations","publication":"Chemsuschem","type":"journal_article","status":"public","abstract":[{"text":"Abstract Polymer-derived silicon oxycarbide ceramics (SiCO) have been considered as potential anode materials for lithium- and sodium-ion batteries. To understand their electrochemical storage behavior, detailed insights into structural sites present in SiCO are required. In this work, the study of local structures in SiCO ceramics containing different amounts of carbon is presented. 13C and 29Si solid-state MAS?NMR spectroscopy combined with DFT calculations, atomistic modeling, and EPR investigations, suggest significant changes in the local structures of SiCO ceramics even by small changes in the material composition. The provided findings on SiCO structures will contribute to the research field of polymer-derived ceramics, especially to understand electrochemical storage processes of alkali metal/ions such as Na/Na+ inside such networks in the future.","lang":"eng"}],"user_id":"100715","_id":"64044","language":[{"iso":"eng"}],"extern":"1","keyword":["NMR spectroscopy","Ceramics","defects","density functional calculations","EPR spectroscopy"]},{"user_id":"48864","department":[{"_id":"302"}],"_id":"30209","status":"public","type":"journal_article","doi":"10.3390/ijms23052817","author":[{"last_name":"Hanke","full_name":"Hanke, Marcel","first_name":"Marcel"},{"first_name":"Niklas","last_name":"Hansen","full_name":"Hansen, Niklas"},{"last_name":"Chen","full_name":"Chen, Ruiping","first_name":"Ruiping"},{"first_name":"Guido","full_name":"Grundmeier, Guido","last_name":"Grundmeier"},{"full_name":"Fahmy, Karim","last_name":"Fahmy","first_name":"Karim"},{"last_name":"Keller","full_name":"Keller, Adrian","first_name":"Adrian"}],"volume":23,"date_updated":"2022-03-07T07:29:27Z","citation":{"mla":"Hanke, Marcel, et al. “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate.” International Journal of Molecular Sciences, vol. 23, no. 5, MDPI AG, 2022, p. 2817, doi:10.3390/ijms23052817.","short":"M. Hanke, N. Hansen, R. Chen, G. Grundmeier, K. Fahmy, A. Keller, International Journal of Molecular Sciences 23 (2022) 2817.","bibtex":"@article{Hanke_Hansen_Chen_Grundmeier_Fahmy_Keller_2022, title={Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate}, volume={23}, DOI={10.3390/ijms23052817}, number={5}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Hanke, Marcel and Hansen, Niklas and Chen, Ruiping and Grundmeier, Guido and Fahmy, Karim and Keller, Adrian}, year={2022}, pages={2817} }","apa":"Hanke, M., Hansen, N., Chen, R., Grundmeier, G., Fahmy, K., & Keller, A. (2022). Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate. International Journal of Molecular Sciences, 23(5), 2817. https://doi.org/10.3390/ijms23052817","ieee":"M. Hanke, N. Hansen, R. Chen, G. Grundmeier, K. Fahmy, and A. Keller, “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate,” International Journal of Molecular Sciences, vol. 23, no. 5, p. 2817, 2022, doi: 10.3390/ijms23052817.","chicago":"Hanke, Marcel, Niklas Hansen, Ruiping Chen, Guido Grundmeier, Karim Fahmy, and Adrian Keller. “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate.” International Journal of Molecular Sciences 23, no. 5 (2022): 2817. https://doi.org/10.3390/ijms23052817.","ama":"Hanke M, Hansen N, Chen R, Grundmeier G, Fahmy K, Keller A. Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate. International Journal of Molecular Sciences. 2022;23(5):2817. doi:10.3390/ijms23052817"},"page":"2817","intvolume":" 23","publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"language":[{"iso":"eng"}],"keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"],"abstract":[{"text":"DNA origami technology enables the folding of DNA strands into complex nanoscale shapes whose properties and interactions with molecular species often deviate significantly from that of genomic DNA. Here, we investigate the salting-out of different DNA origami shapes by the kosmotropic salt ammonium sulfate that is routinely employed in protein precipitation. We find that centrifugation in the presence of 3 M ammonium sulfate results in notable precipitation of DNA origami nanostructures but not of double-stranded genomic DNA. The precipitated DNA origami nanostructures can be resuspended in ammonium sulfate-free buffer without apparent formation of aggregates or loss of structural integrity. Even though quasi-1D six-helix bundle DNA origami are slightly less susceptible toward salting-out than more compact DNA origami triangles and 24-helix bundles, precipitation and recovery yields appear to be mostly independent of DNA origami shape and superstructure. Exploiting the specificity of ammonium sulfate salting-out for DNA origami nanostructures, we further apply this method to separate DNA origami triangles from genomic DNA fragments in a complex mixture. Our results thus demonstrate the possibility of concentrating and purifying DNA origami nanostructures by ammonium sulfate-induced salting-out.","lang":"eng"}],"publication":"International Journal of Molecular Sciences","title":"Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate","date_created":"2022-03-07T07:28:02Z","publisher":"MDPI AG","year":"2022","issue":"5"},{"status":"public","type":"journal_article","publication":"Langmuir","language":[{"iso":"eng"}],"keyword":["Electrochemistry","Spectroscopy","Surfaces and Interfaces","Condensed Matter Physics","General Materials Science"],"user_id":"48864","department":[{"_id":"302"}],"_id":"32432","citation":{"ieee":"Y. Yang et al., “Effect of Surface Hydrophobicity on the Adsorption of a Pilus-Derived Adhesin-like Peptide,” Langmuir, vol. 38, pp. 9257–9265, 2022, doi: 10.1021/acs.langmuir.2c01016.","chicago":"Yang, Yu, Jingyuan Huang, Daniel Dornbusch, Guido Grundmeier, Karim Fahmy, Adrian Keller, and David L. Cheung. “Effect of Surface Hydrophobicity on the Adsorption of a Pilus-Derived Adhesin-like Peptide.” Langmuir 38 (2022): 9257–9265. https://doi.org/10.1021/acs.langmuir.2c01016.","ama":"Yang Y, Huang J, Dornbusch D, et al. Effect of Surface Hydrophobicity on the Adsorption of a Pilus-Derived Adhesin-like Peptide. Langmuir. 2022;38:9257–9265. doi:10.1021/acs.langmuir.2c01016","short":"Y. Yang, J. Huang, D. Dornbusch, G. Grundmeier, K. Fahmy, A. Keller, D.L. Cheung, Langmuir 38 (2022) 9257–9265.","bibtex":"@article{Yang_Huang_Dornbusch_Grundmeier_Fahmy_Keller_Cheung_2022, title={Effect of Surface Hydrophobicity on the Adsorption of a Pilus-Derived Adhesin-like Peptide}, volume={38}, DOI={10.1021/acs.langmuir.2c01016}, journal={Langmuir}, publisher={American Chemical Society (ACS)}, author={Yang, Yu and Huang, Jingyuan and Dornbusch, Daniel and Grundmeier, Guido and Fahmy, Karim and Keller, Adrian and Cheung, David L.}, year={2022}, pages={9257–9265} }","mla":"Yang, Yu, et al. “Effect of Surface Hydrophobicity on the Adsorption of a Pilus-Derived Adhesin-like Peptide.” Langmuir, vol. 38, American Chemical Society (ACS), 2022, pp. 9257–9265, doi:10.1021/acs.langmuir.2c01016.","apa":"Yang, Y., Huang, J., Dornbusch, D., Grundmeier, G., Fahmy, K., Keller, A., & Cheung, D. L. (2022). Effect of Surface Hydrophobicity on the Adsorption of a Pilus-Derived Adhesin-like Peptide. Langmuir, 38, 9257–9265. https://doi.org/10.1021/acs.langmuir.2c01016"},"intvolume":" 38","page":"9257–9265","year":"2022","publication_status":"published","publication_identifier":{"issn":["0743-7463","1520-5827"]},"doi":"10.1021/acs.langmuir.2c01016","title":"Effect of Surface Hydrophobicity on the Adsorption of a Pilus-Derived Adhesin-like Peptide","date_created":"2022-07-27T07:45:51Z","author":[{"last_name":"Yang","full_name":"Yang, Yu","first_name":"Yu"},{"last_name":"Huang","full_name":"Huang, Jingyuan","first_name":"Jingyuan"},{"first_name":"Daniel","full_name":"Dornbusch, Daniel","last_name":"Dornbusch"},{"first_name":"Guido","last_name":"Grundmeier","id":"194","full_name":"Grundmeier, Guido"},{"first_name":"Karim","last_name":"Fahmy","full_name":"Fahmy, Karim"},{"first_name":"Adrian","id":"48864","full_name":"Keller, Adrian","orcid":"0000-0001-7139-3110","last_name":"Keller"},{"first_name":"David L.","full_name":"Cheung, David L.","last_name":"Cheung"}],"volume":38,"publisher":"American Chemical Society (ACS)","date_updated":"2022-08-08T06:39:04Z"},{"type":"journal_article","publication":"International Journal of Molecular Sciences","status":"public","abstract":[{"lang":"eng","text":"Guanidinium (Gdm) undergoes interactions with both hydrophilic and hydrophobic groups and, thus, is a highly potent denaturant of biomolecular structure. However, our molecular understanding of the interaction of Gdm with proteins and DNA is still rather limited. Here, we investigated the denaturation of DNA origami nanostructures by three Gdm salts, i.e., guanidinium chloride (GdmCl), guanidinium sulfate (Gdm2SO4), and guanidinium thiocyanate (GdmSCN), at different temperatures and in dependence of incubation time. Using DNA origami nanostructures as sensors that translate small molecular transitions into nanostructural changes, the denaturing effects of the Gdm salts were directly visualized by atomic force microscopy. GdmSCN was the most potent DNA denaturant, which caused complete DNA origami denaturation at 50 °C already at a concentration of 2 M. Under such harsh conditions, denaturation occurred within the first 15 min of Gdm exposure, whereas much slower kinetics were observed for the more weakly denaturing salt Gdm2SO4 at 25 °C. Lastly, we observed a novel non-monotonous temperature dependence of DNA origami denaturation in Gdm2SO4 with the fraction of intact nanostructures having an intermediate minimum at about 40 °C. Our results, thus, provide further insights into the highly complex Gdm–DNA interaction and underscore the importance of the counteranion species."}],"user_id":"48864","department":[{"_id":"302"}],"_id":"32589","language":[{"iso":"eng"}],"keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"],"issue":"15","publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"citation":{"apa":"Hanke, M., Hansen, N., Tomm, E., Grundmeier, G., & Keller, A. (2022). Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate. International Journal of Molecular Sciences, 23(15), 8547. https://doi.org/10.3390/ijms23158547","bibtex":"@article{Hanke_Hansen_Tomm_Grundmeier_Keller_2022, title={Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate}, volume={23}, DOI={10.3390/ijms23158547}, number={15}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Hanke, Marcel and Hansen, Niklas and Tomm, Emilia and Grundmeier, Guido and Keller, Adrian}, year={2022}, pages={8547} }","mla":"Hanke, Marcel, et al. “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate.” International Journal of Molecular Sciences, vol. 23, no. 15, MDPI AG, 2022, p. 8547, doi:10.3390/ijms23158547.","short":"M. Hanke, N. Hansen, E. Tomm, G. Grundmeier, A. Keller, International Journal of Molecular Sciences 23 (2022) 8547.","chicago":"Hanke, Marcel, Niklas Hansen, Emilia Tomm, Guido Grundmeier, and Adrian Keller. “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate.” International Journal of Molecular Sciences 23, no. 15 (2022): 8547. https://doi.org/10.3390/ijms23158547.","ieee":"M. Hanke, N. Hansen, E. Tomm, G. Grundmeier, and A. Keller, “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate,” International Journal of Molecular Sciences, vol. 23, no. 15, p. 8547, 2022, doi: 10.3390/ijms23158547.","ama":"Hanke M, Hansen N, Tomm E, Grundmeier G, Keller A. Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate. International Journal of Molecular Sciences. 2022;23(15):8547. doi:10.3390/ijms23158547"},"page":"8547","intvolume":" 23","year":"2022","author":[{"first_name":"Marcel","last_name":"Hanke","full_name":"Hanke, Marcel"},{"full_name":"Hansen, Niklas","last_name":"Hansen","first_name":"Niklas"},{"first_name":"Emilia","last_name":"Tomm","full_name":"Tomm, Emilia"},{"first_name":"Guido","id":"194","full_name":"Grundmeier, Guido","last_name":"Grundmeier"},{"last_name":"Keller","orcid":"0000-0001-7139-3110","full_name":"Keller, Adrian","id":"48864","first_name":"Adrian"}],"date_created":"2022-08-08T06:39:20Z","volume":23,"publisher":"MDPI AG","date_updated":"2022-08-08T06:40:14Z","doi":"10.3390/ijms23158547","title":"Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate"},{"keyword":["Spectroscopy","Analytical Chemistry"],"language":[{"iso":"eng"}],"abstract":[{"text":"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.","lang":"eng"}],"publication":"Journal of Analytical Atomic Spectrometry","title":"High resolution off resonant spectroscopy as a probe of the oxidation state","publisher":"Royal Society of Chemistry (RSC)","date_created":"2023-01-30T16:24:06Z","year":"2022","issue":"11","_id":"40986","user_id":"48467","department":[{"_id":"35"},{"_id":"306"}],"status":"public","type":"journal_article","doi":"10.1039/d2ja00232a","date_updated":"2024-05-07T11:43:54Z","author":[{"id":"78878","full_name":"Nowakowski, Michał","last_name":"Nowakowski","orcid":"0000-0002-3734-7011","first_name":"Michał"},{"last_name":"Kalinko","full_name":"Kalinko, Aleksandr","first_name":"Aleksandr"},{"last_name":"Szlachetko","full_name":"Szlachetko, Jakub","first_name":"Jakub"},{"first_name":"Rafał","last_name":"Fanselow","full_name":"Fanselow, Rafał"},{"full_name":"Bauer, Matthias","id":"47241","orcid":"0000-0002-9294-6076","last_name":"Bauer","first_name":"Matthias"}],"volume":37,"citation":{"ama":"Nowakowski M, Kalinko A, Szlachetko J, Fanselow R, Bauer M. High resolution off resonant spectroscopy as a probe of the oxidation state. Journal of Analytical Atomic Spectrometry. 2022;37(11):2383-2391. doi:10.1039/d2ja00232a","chicago":"Nowakowski, Michał, Aleksandr Kalinko, Jakub Szlachetko, Rafał Fanselow, and Matthias Bauer. “High Resolution off Resonant Spectroscopy as a Probe of the Oxidation State.” Journal of Analytical Atomic Spectrometry 37, no. 11 (2022): 2383–91. https://doi.org/10.1039/d2ja00232a.","ieee":"M. Nowakowski, A. Kalinko, J. Szlachetko, R. Fanselow, and M. Bauer, “High resolution off resonant spectroscopy as a probe of the oxidation state,” Journal of Analytical Atomic Spectrometry, vol. 37, no. 11, pp. 2383–2391, 2022, doi: 10.1039/d2ja00232a.","short":"M. Nowakowski, A. Kalinko, J. Szlachetko, R. Fanselow, M. Bauer, Journal of Analytical Atomic Spectrometry 37 (2022) 2383–2391.","bibtex":"@article{Nowakowski_Kalinko_Szlachetko_Fanselow_Bauer_2022, title={High resolution off resonant spectroscopy as a probe of the oxidation state}, volume={37}, DOI={10.1039/d2ja00232a}, number={11}, journal={Journal of Analytical Atomic Spectrometry}, publisher={Royal Society of Chemistry (RSC)}, author={Nowakowski, Michał and Kalinko, Aleksandr and Szlachetko, Jakub and Fanselow, Rafał and Bauer, Matthias}, year={2022}, pages={2383–2391} }","mla":"Nowakowski, Michał, et al. “High Resolution off Resonant Spectroscopy as a Probe of the Oxidation State.” Journal of Analytical Atomic Spectrometry, vol. 37, no. 11, Royal Society of Chemistry (RSC), 2022, pp. 2383–91, doi:10.1039/d2ja00232a.","apa":"Nowakowski, M., Kalinko, A., Szlachetko, J., Fanselow, R., & Bauer, M. (2022). High resolution off resonant spectroscopy as a probe of the oxidation state. Journal of Analytical Atomic Spectrometry, 37(11), 2383–2391. https://doi.org/10.1039/d2ja00232a"},"intvolume":" 37","page":"2383-2391","publication_status":"published","publication_identifier":{"issn":["0267-9477","1364-5544"]}},{"publication_status":"published","publication_identifier":{"issn":["0743-7463","1520-5827"]},"citation":{"ama":"Feng Y, Schaefer A, Hellman A, et al. Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina. Langmuir. 2022;38(42):12859-12870. doi:10.1021/acs.langmuir.2c01834","chicago":"Feng, Yanyue, Andreas Schaefer, Anders Hellman, Mengqiao Di, Hanna Härelind, Matthias Bauer, and Per-Anders Carlsson. “Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina.” Langmuir 38, no. 42 (2022): 12859–70. https://doi.org/10.1021/acs.langmuir.2c01834.","ieee":"Y. Feng et al., “Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina,” Langmuir, vol. 38, no. 42, pp. 12859–12870, 2022, doi: 10.1021/acs.langmuir.2c01834.","mla":"Feng, Yanyue, et al. “Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina.” Langmuir, vol. 38, no. 42, American Chemical Society (ACS), 2022, pp. 12859–70, doi:10.1021/acs.langmuir.2c01834.","bibtex":"@article{Feng_Schaefer_Hellman_Di_Härelind_Bauer_Carlsson_2022, title={Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina}, volume={38}, DOI={10.1021/acs.langmuir.2c01834}, number={42}, journal={Langmuir}, publisher={American Chemical Society (ACS)}, author={Feng, Yanyue and Schaefer, Andreas and Hellman, Anders and Di, Mengqiao and Härelind, Hanna and Bauer, Matthias and Carlsson, Per-Anders}, year={2022}, pages={12859–12870} }","short":"Y. Feng, A. Schaefer, A. Hellman, M. Di, H. Härelind, M. Bauer, P.-A. Carlsson, Langmuir 38 (2022) 12859–12870.","apa":"Feng, Y., Schaefer, A., Hellman, A., Di, M., Härelind, H., Bauer, M., & Carlsson, P.-A. (2022). Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina. Langmuir, 38(42), 12859–12870. https://doi.org/10.1021/acs.langmuir.2c01834"},"intvolume":" 38","page":"12859-12870","date_updated":"2023-01-31T08:00:11Z","author":[{"first_name":"Yanyue","full_name":"Feng, Yanyue","last_name":"Feng"},{"last_name":"Schaefer","full_name":"Schaefer, Andreas","first_name":"Andreas"},{"first_name":"Anders","full_name":"Hellman, Anders","last_name":"Hellman"},{"last_name":"Di","full_name":"Di, Mengqiao","first_name":"Mengqiao"},{"last_name":"Härelind","full_name":"Härelind, Hanna","first_name":"Hanna"},{"full_name":"Bauer, Matthias","id":"47241","orcid":"0000-0002-9294-6076","last_name":"Bauer","first_name":"Matthias"},{"first_name":"Per-Anders","last_name":"Carlsson","full_name":"Carlsson, Per-Anders"}],"volume":38,"doi":"10.1021/acs.langmuir.2c01834","type":"journal_article","status":"public","_id":"40984","user_id":"48467","department":[{"_id":"35"},{"_id":"306"}],"issue":"42","year":"2022","publisher":"American Chemical Society (ACS)","date_created":"2023-01-30T16:22:57Z","title":"Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina","publication":"Langmuir","abstract":[{"text":"A two-step seeded-growth method was refined to synthesize Au@Pd core@shell nanoparticles with thin Pd shells, which were then deposited onto alumina to obtain a supported Au@Pd/Al2O3 catalyst active for prototypical CO oxidation. By the strict control of temperature and Pd/Au molar ratio and the use of l-ascorbic acid for making both Au cores and Pd shells, a 1.5 nm Pd layer is formed around the Au core, as evidenced by transmission electron microscopy and energy-dispersive spectroscopy. The core@shell structure and the Pd shell remain intact upon deposition onto alumina and after being used for CO oxidation, as revealed by additional X-ray diffraction and X-ray photoemission spectroscopy before and after the reaction. The Pd shell surface was characterized with in situ infrared (IR) spectroscopy using CO as a chemical probe during CO adsorption–desorption. The IR bands for CO ad-species on the Pd shell suggest that the shell exposes mostly low-index surfaces, likely Pd(111) as the majority facet. Generally, the IR bands are blue-shifted as compared to conventional Pd/alumina catalysts, which may be due to the different support materials for Pd, Au versus Al2O3, and/or less strain of the Pd shell. Frequencies obtained from density functional calculations suggest the latter to be significant. Further, the catalytic CO oxidation ignition-extinction processes were followed by in situ IR, which shows the common CO poisoning and kinetic behavior associated with competitive adsorption of CO and O2 that is typically observed for noble metal catalysts.","lang":"eng"}],"keyword":["Electrochemistry","Spectroscopy","Surfaces and Interfaces","Condensed Matter Physics","General Materials Science"],"language":[{"iso":"eng"}]},{"status":"public","abstract":[{"text":"The direct conversion between HEROS-XES and XANES edge position (E0) without need of measuring absorption spectra.","lang":"eng"}],"publication":"Journal of Analytical Atomic Spectrometry","type":"journal_article","language":[{"iso":"eng"}],"keyword":["Spectroscopy","Analytical Chemistry"],"user_id":"78878","_id":"41319","intvolume":" 37","page":"2383-2391","citation":{"short":"M. Nowakowski, A. Kalinko, J. Szlachetko, R. Fanselow, M. Bauer, Journal of Analytical Atomic Spectrometry 37 (2022) 2383–2391.","bibtex":"@article{Nowakowski_Kalinko_Szlachetko_Fanselow_Bauer_2022, title={High resolution off resonant spectroscopy as a probe of the oxidation state}, volume={37}, DOI={10.1039/d2ja00232a}, number={11}, journal={Journal of Analytical Atomic Spectrometry}, publisher={Royal Society of Chemistry (RSC)}, author={Nowakowski, Michal and Kalinko, Aleksandr and Szlachetko, Jakub and Fanselow, Rafał and Bauer, Matthias}, year={2022}, pages={2383–2391} }","mla":"Nowakowski, Michal, et al. “High Resolution off Resonant Spectroscopy as a Probe of the Oxidation State.” Journal of Analytical Atomic Spectrometry, vol. 37, no. 11, Royal Society of Chemistry (RSC), 2022, pp. 2383–91, doi:10.1039/d2ja00232a.","apa":"Nowakowski, M., Kalinko, A., Szlachetko, J., Fanselow, R., & Bauer, M. (2022). High resolution off resonant spectroscopy as a probe of the oxidation state. Journal of Analytical Atomic Spectrometry, 37(11), 2383–2391. https://doi.org/10.1039/d2ja00232a","ieee":"M. Nowakowski, A. Kalinko, J. Szlachetko, R. Fanselow, and M. Bauer, “High resolution off resonant spectroscopy as a probe of the oxidation state,” Journal of Analytical Atomic Spectrometry, vol. 37, no. 11, pp. 2383–2391, 2022, doi: 10.1039/d2ja00232a.","chicago":"Nowakowski, Michal, Aleksandr Kalinko, Jakub Szlachetko, Rafał Fanselow, and Matthias Bauer. “High Resolution off Resonant Spectroscopy as a Probe of the Oxidation State.” Journal of Analytical Atomic Spectrometry 37, no. 11 (2022): 2383–91. https://doi.org/10.1039/d2ja00232a.","ama":"Nowakowski M, Kalinko A, Szlachetko J, Fanselow R, Bauer M. High resolution off resonant spectroscopy as a probe of the oxidation state. Journal of Analytical Atomic Spectrometry. 2022;37(11):2383-2391. doi:10.1039/d2ja00232a"},"year":"2022","issue":"11","publication_identifier":{"issn":["0267-9477","1364-5544"]},"publication_status":"published","doi":"10.1039/d2ja00232a","title":"High resolution off resonant spectroscopy as a probe of the oxidation state","volume":37,"date_created":"2023-01-31T22:47:06Z","author":[{"full_name":"Nowakowski, Michal","last_name":"Nowakowski","first_name":"Michal"},{"last_name":"Kalinko","full_name":"Kalinko, Aleksandr","first_name":"Aleksandr"},{"full_name":"Szlachetko, Jakub","last_name":"Szlachetko","first_name":"Jakub"},{"first_name":"Rafał","full_name":"Fanselow, Rafał","last_name":"Fanselow"},{"full_name":"Bauer, Matthias","last_name":"Bauer","first_name":"Matthias"}],"publisher":"Royal Society of Chemistry (RSC)","date_updated":"2023-02-01T08:50:34Z"},{"publication":"Nature Communications","abstract":[{"lang":"eng","text":"The three-dimensional (3D) distribution of individual atoms on the surface of catalyst nanoparticles plays a vital role in their activity and stability. Optimising the performance of electrocatalysts requires atomic-scale information, but it is difficult to obtain. Here, we use atom probe tomography to elucidate the 3D structure of 10 nm sized Co2FeO4 and CoFe2O4 nanoparticles during oxygen evolution reaction (OER). We reveal nanoscale spinodal decomposition in pristine Co2FeO4. The interfaces of Co-rich and Fe-rich nanodomains of Co2FeO4 become trapping sites for hydroxyl groups, contributing to a higher OER activity compared to that of CoFe2O4. However, the activity of Co2FeO4 drops considerably due to concurrent irreversible transformation towards CoIVO2 and pronounced Fe dissolution. In contrast, there is negligible elemental redistribution for CoFe2O4 after OER, except for surface structural transformation towards (FeIII, CoIII)2O3. Overall, our study provides a unique 3D compositional distribution of mixed Co-Fe spinel oxides, which gives atomic-scale insights into active sites and the deactivation of electrocatalysts during OER."}],"keyword":["electrocatalysis","oxygen evolution reaction","cobalt spinel","electrochemical impedance spectroscopy"],"language":[{"iso":"eng"}],"quality_controlled":"1","issue":"1","year":"2022","publisher":"Springer Science and Business Media LLC","date_created":"2025-12-03T15:22:16Z","title":"3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction","type":"journal_article","status":"public","_id":"62801","user_id":"116779","department":[{"_id":"985"}],"article_type":"original","article_number":"179","extern":"1","publication_status":"published","publication_identifier":{"issn":["2041-1723"]},"citation":{"ama":"Xiang W, Yang N, Li X, et al. 3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction. Nature Communications. 2022;13(1). doi:10.1038/s41467-021-27788-2","ieee":"W. Xiang et al., “3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction,” Nature Communications, vol. 13, no. 1, Art. no. 179, 2022, doi: 10.1038/s41467-021-27788-2.","chicago":"Xiang, Weikai, Nating Yang, Xiaopeng Li, Julia Linnemann, Ulrich Hagemann, Olaf Ruediger, Markus Heidelmann, et al. “3D Atomic-Scale Imaging of Mixed Co-Fe Spinel Oxide Nanoparticles during Oxygen Evolution Reaction.” Nature Communications 13, no. 1 (2022). https://doi.org/10.1038/s41467-021-27788-2.","bibtex":"@article{Xiang_Yang_Li_Linnemann_Hagemann_Ruediger_Heidelmann_Falk_Aramini_DeBeer_et al._2022, title={3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction}, volume={13}, DOI={10.1038/s41467-021-27788-2}, number={1179}, journal={Nature Communications}, publisher={Springer Science and Business Media LLC}, author={Xiang, Weikai and Yang, Nating and Li, Xiaopeng and Linnemann, Julia and Hagemann, Ulrich and Ruediger, Olaf and Heidelmann, Markus and Falk, Tobias and Aramini, Matteo and DeBeer, Serena and et al.}, year={2022} }","short":"W. Xiang, N. Yang, X. Li, J. Linnemann, U. Hagemann, O. Ruediger, M. Heidelmann, T. Falk, M. Aramini, S. DeBeer, M. Muhler, K. Tschulik, T. Li, Nature Communications 13 (2022).","mla":"Xiang, Weikai, et al. “3D Atomic-Scale Imaging of Mixed Co-Fe Spinel Oxide Nanoparticles during Oxygen Evolution Reaction.” Nature Communications, vol. 13, no. 1, 179, Springer Science and Business Media LLC, 2022, doi:10.1038/s41467-021-27788-2.","apa":"Xiang, W., Yang, N., Li, X., Linnemann, J., Hagemann, U., Ruediger, O., Heidelmann, M., Falk, T., Aramini, M., DeBeer, S., Muhler, M., Tschulik, K., & Li, T. (2022). 3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction. Nature Communications, 13(1), Article 179. https://doi.org/10.1038/s41467-021-27788-2"},"intvolume":" 13","oa":"1","date_updated":"2025-12-03T16:30:12Z","author":[{"last_name":"Xiang","full_name":"Xiang, Weikai","first_name":"Weikai"},{"full_name":"Yang, Nating","last_name":"Yang","first_name":"Nating"},{"last_name":"Li","full_name":"Li, Xiaopeng","first_name":"Xiaopeng"},{"full_name":"Linnemann, Julia","id":"116779","last_name":"Linnemann","orcid":"0000-0001-6883-5424","first_name":"Julia"},{"first_name":"Ulrich","full_name":"Hagemann, Ulrich","last_name":"Hagemann"},{"first_name":"Olaf","last_name":"Ruediger","full_name":"Ruediger, Olaf"},{"last_name":"Heidelmann","full_name":"Heidelmann, Markus","first_name":"Markus"},{"first_name":"Tobias","full_name":"Falk, Tobias","last_name":"Falk"},{"full_name":"Aramini, Matteo","last_name":"Aramini","first_name":"Matteo"},{"first_name":"Serena","last_name":"DeBeer","full_name":"DeBeer, Serena"},{"full_name":"Muhler, Martin","last_name":"Muhler","first_name":"Martin"},{"first_name":"Kristina","full_name":"Tschulik, Kristina","last_name":"Tschulik"},{"first_name":"Tong","last_name":"Li","full_name":"Li, Tong"}],"volume":13,"main_file_link":[{"url":"https://www.nature.com/articles/s41467-021-27788-2","open_access":"1"}],"doi":"10.1038/s41467-021-27788-2"},{"type":"journal_article","publication":"Journal of Raman Spectroscopy","status":"public","_id":"34087","user_id":"77496","department":[{"_id":"15"}],"keyword":["Spectroscopy","General Materials Science"],"language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"issn":["0377-0486","1097-4555"]},"issue":"7","year":"2021","citation":{"ieee":"S. Knust et al., “In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma,” Journal of Raman Spectroscopy, vol. 52, no. 7, pp. 1237–1245, 2021, doi: 10.1002/jrs.6123.","chicago":"Knust, Steffen, Lukas Ruhm, Andreas Kuhlmann, Dennis Meinderink, Julius Bürger, Jörg Lindner, Maria Teresa de los Arcos de Pedro, and Guido Grundmeier. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” Journal of Raman Spectroscopy 52, no. 7 (2021): 1237–45. https://doi.org/10.1002/jrs.6123.","ama":"Knust S, Ruhm L, Kuhlmann A, et al. In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma. Journal of Raman Spectroscopy. 2021;52(7):1237-1245. doi:10.1002/jrs.6123","apa":"Knust, S., Ruhm, L., Kuhlmann, A., Meinderink, D., Bürger, J., Lindner, J., de los Arcos de Pedro, M. T., & Grundmeier, G. (2021). In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma. Journal of Raman Spectroscopy, 52(7), 1237–1245. https://doi.org/10.1002/jrs.6123","bibtex":"@article{Knust_Ruhm_Kuhlmann_Meinderink_Bürger_Lindner_de los Arcos de Pedro_Grundmeier_2021, title={In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma}, volume={52}, DOI={10.1002/jrs.6123}, number={7}, journal={Journal of Raman Spectroscopy}, publisher={Wiley}, author={Knust, Steffen and Ruhm, Lukas and Kuhlmann, Andreas and Meinderink, Dennis and Bürger, Julius and Lindner, Jörg and de los Arcos de Pedro, Maria Teresa and Grundmeier, Guido}, year={2021}, pages={1237–1245} }","short":"S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J. Lindner, M.T. de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy 52 (2021) 1237–1245.","mla":"Knust, Steffen, et al. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” Journal of Raman Spectroscopy, vol. 52, no. 7, Wiley, 2021, pp. 1237–45, doi:10.1002/jrs.6123."},"page":"1237-1245","intvolume":" 52","date_updated":"2023-01-04T14:51:10Z","publisher":"Wiley","date_created":"2022-11-15T14:08:53Z","author":[{"first_name":"Steffen","last_name":"Knust","full_name":"Knust, Steffen"},{"first_name":"Lukas","full_name":"Ruhm, Lukas","last_name":"Ruhm"},{"first_name":"Andreas","full_name":"Kuhlmann, Andreas","last_name":"Kuhlmann"},{"first_name":"Dennis","full_name":"Meinderink, Dennis","id":"32378","orcid":"0000-0002-2755-6514","last_name":"Meinderink"},{"first_name":"Julius","full_name":"Bürger, Julius","id":"46952","last_name":"Bürger"},{"first_name":"Jörg","last_name":"Lindner","full_name":"Lindner, Jörg","id":"20797"},{"first_name":"Maria Teresa","last_name":"de los Arcos de Pedro","id":"54556","full_name":"de los Arcos de Pedro, Maria Teresa"},{"last_name":"Grundmeier","full_name":"Grundmeier, Guido","id":"194","first_name":"Guido"}],"volume":52,"title":"In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma","doi":"10.1002/jrs.6123"},{"abstract":[{"lang":"eng","text":"Individual grains of chalcopyrite solar cell absorbers can facet in different crystallographic directions at their surfaces. To gain a deeper understanding of the junction formation in these devices, we correlate variations in the surface facet orientation with the defect electronic properties. We use a combined analytical approach based on scanning tunneling spectroscopy (STS), scanning electron microscopy, and electron back scatter diffraction (EBSD), where we perform these experiments on identical surface areas as small as 2 × 2 µm2 with a lateral resolution well below 50 nm. The topography of the absorber surfaces indicates two main morphological features: micro-faceted, long basalt-like columns and their short nano-faceted terminations. Our STS results reveal that the long columns exhibit spectral signatures typical for the presence of pronounced oxidation-induced surface dipoles in conjunction with an increased density of electronic defect levels. In contrast, the nano-faceted terminations of the basalt-like columns are largely passivated in terms of electronic defect levels within the band gap region. Corresponding crystallographic data based on EBSD experiments show that the surface of the basalt-like columns can be assigned to intrinsically polar facet orientations, while the passivated terminations are assigned to non-polar planes. Ab-initio calculations suggest that the polar surfaces are more prone to oxidation and resulting O-induced defects, in comparison to non-polar planes. Our results emphasize the correlation between morphology, surface facet orientations and surface electronic properties. Furthermore, this work aids in gaining a fundamental understanding of oxidation induced lateral inhomogeneities in view of the p-n junction formation in chalcopyrite thin-film solar cells."}],"status":"public","publication":"Acta Materialia","type":"journal_article","keyword":["Chalcopyrite absorber","Scanning tunneling spectroscopy","Electron backscatter diffraction","Density functional theory","Surface dipole"],"language":[{"iso":"eng"}],"_id":"19823","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"613"}],"user_id":"71692","year":"2020","intvolume":" 200","citation":{"ama":"Elizabeth A, Conradi H, K. Sahoo S, et al. Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia. 2020;200. doi:https://doi.org/10.1016/j.actamat.2020.09.028","ieee":"A. Elizabeth et al., “Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films,” Acta Materialia, vol. 200, 2020.","chicago":"Elizabeth, Amala, Hauke Conradi, Sudhir K. Sahoo, Tim Kodalle, Christian A. Kaufmann, Thomas Kühne, Hossein Mirhosseini, Daniel Abou-Ras, and Harry Mönig. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia 200 (2020). https://doi.org/10.1016/j.actamat.2020.09.028.","apa":"Elizabeth, A., Conradi, H., K. Sahoo, S., Kodalle, T., A. Kaufmann, C., Kühne, T., … Mönig, H. (2020). Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia, 200. https://doi.org/10.1016/j.actamat.2020.09.028","bibtex":"@article{Elizabeth_Conradi_K. Sahoo_Kodalle_A. Kaufmann_Kühne_Mirhosseini_Abou-Ras_Mönig_2020, title={Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films}, volume={200}, DOI={https://doi.org/10.1016/j.actamat.2020.09.028}, journal={Acta Materialia}, author={Elizabeth, Amala and Conradi, Hauke and K. Sahoo, Sudhir and Kodalle, Tim and A. Kaufmann, Christian and Kühne, Thomas and Mirhosseini, Hossein and Abou-Ras, Daniel and Mönig, Harry}, year={2020} }","mla":"Elizabeth, Amala, et al. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia, vol. 200, 2020, doi:https://doi.org/10.1016/j.actamat.2020.09.028.","short":"A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. Kühne, H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020)."},"publication_identifier":{"issn":["1359-6454"]},"title":"Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films","doi":"https://doi.org/10.1016/j.actamat.2020.09.028","date_updated":"2022-01-06T06:54:13Z","volume":200,"author":[{"full_name":"Elizabeth, Amala","last_name":"Elizabeth","first_name":"Amala"},{"full_name":"Conradi, Hauke","last_name":"Conradi","first_name":"Hauke"},{"last_name":"K. Sahoo","full_name":"K. Sahoo, Sudhir","first_name":"Sudhir"},{"first_name":"Tim","full_name":"Kodalle, Tim","last_name":"Kodalle"},{"full_name":"A. Kaufmann, Christian","last_name":"A. Kaufmann","first_name":"Christian"},{"last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079","first_name":"Thomas"},{"last_name":"Mirhosseini","orcid":"https://orcid.org/0000-0001-6179-1545","full_name":"Mirhosseini, Hossein","id":"71051","first_name":"Hossein"},{"last_name":"Abou-Ras","full_name":"Abou-Ras, Daniel","first_name":"Daniel"},{"last_name":"Mönig","full_name":"Mönig, Harry","first_name":"Harry"}],"date_created":"2020-10-01T09:19:55Z"},{"publication_identifier":{"issn":["2329-7778"]},"publication_status":"published","issue":"3","year":"2020","intvolume":" 7","citation":{"chicago":"Gujt, Jure, Peter Zimmer, Frederik Zysk, Vicky Süß, Claudia Felser, Matthias Bauer, and Thomas Kühne. “Water Structure near the Surface of Weyl Semimetals as Catalysts in Photocatalytic Proton Reduction.” Structural Dynamics 7, no. 3 (2020). https://doi.org/10.1063/4.0000008.","ieee":"J. Gujt et al., “Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction,” Structural Dynamics, vol. 7, no. 3, Art. no. 034101, 2020, doi: 10.1063/4.0000008.","ama":"Gujt J, Zimmer P, Zysk F, et al. Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction. Structural Dynamics. 2020;7(3). doi:10.1063/4.0000008","apa":"Gujt, J., Zimmer, P., Zysk, F., Süß, V., Felser, C., Bauer, M., & Kühne, T. (2020). Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction. Structural Dynamics, 7(3), Article 034101. https://doi.org/10.1063/4.0000008","short":"J. Gujt, P. Zimmer, F. Zysk, V. Süß, C. Felser, M. Bauer, T. Kühne, Structural Dynamics 7 (2020).","bibtex":"@article{Gujt_Zimmer_Zysk_Süß_Felser_Bauer_Kühne_2020, title={Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction}, volume={7}, DOI={10.1063/4.0000008}, number={3034101}, journal={Structural Dynamics}, publisher={AIP Publishing}, author={Gujt, Jure and Zimmer, Peter and Zysk, Frederik and Süß, Vicky and Felser, Claudia and Bauer, Matthias and Kühne, Thomas}, year={2020} }","mla":"Gujt, Jure, et al. “Water Structure near the Surface of Weyl Semimetals as Catalysts in Photocatalytic Proton Reduction.” Structural Dynamics, vol. 7, no. 3, 034101, AIP Publishing, 2020, doi:10.1063/4.0000008."},"publisher":"AIP Publishing","date_updated":"2023-01-31T08:23:35Z","volume":7,"date_created":"2023-01-30T17:40:53Z","author":[{"first_name":"Jure","last_name":"Gujt","full_name":"Gujt, Jure"},{"full_name":"Zimmer, Peter","last_name":"Zimmer","first_name":"Peter"},{"first_name":"Frederik","last_name":"Zysk","id":"14757","full_name":"Zysk, Frederik"},{"last_name":"Süß","full_name":"Süß, Vicky","first_name":"Vicky"},{"full_name":"Felser, Claudia","last_name":"Felser","first_name":"Claudia"},{"first_name":"Matthias","orcid":"0000-0002-9294-6076","last_name":"Bauer","full_name":"Bauer, Matthias","id":"47241"},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"}],"title":"Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction","doi":"10.1063/4.0000008","publication":"Structural Dynamics","type":"journal_article","status":"public","_id":"41024","department":[{"_id":"35"},{"_id":"306"}],"user_id":"27611","keyword":["Spectroscopy","Condensed Matter Physics","Instrumentation","Radiation"],"article_number":"034101","language":[{"iso":"eng"}]},{"author":[{"first_name":"Junqiao","full_name":"Lee, Junqiao","last_name":"Lee"},{"first_name":"Ghulam","full_name":"Hussain, Ghulam","last_name":"Hussain"},{"full_name":"Lopez Salas, Nieves","id":"98120","orcid":"https://orcid.org/0000-0002-8438-9548","last_name":"Lopez Salas","first_name":"Nieves"},{"full_name":"MacFarlane, Douglas R.","last_name":"MacFarlane","first_name":"Douglas R."},{"full_name":"Silvester, Debbie S.","last_name":"Silvester","first_name":"Debbie S."}],"date_created":"2023-01-27T16:21:25Z","volume":145,"publisher":"Royal Society of Chemistry (RSC)","date_updated":"2023-01-27T16:29:21Z","doi":"10.1039/c9an02153a","title":"Thin films of poly(vinylidene fluoride-co-hexafluoropropylene)-ionic liquid mixtures as amperometric gas sensing materials for oxygen and ammonia","issue":"5","publication_status":"published","publication_identifier":{"issn":["0003-2654","1364-5528"]},"citation":{"mla":"Lee, Junqiao, et al. “Thin Films of Poly(Vinylidene Fluoride-Co-Hexafluoropropylene)-Ionic Liquid Mixtures as Amperometric Gas Sensing Materials for Oxygen and Ammonia.” The Analyst, vol. 145, no. 5, Royal Society of Chemistry (RSC), 2020, pp. 1915–24, doi:10.1039/c9an02153a.","bibtex":"@article{Lee_Hussain_Lopez Salas_MacFarlane_Silvester_2020, title={Thin films of poly(vinylidene fluoride-co-hexafluoropropylene)-ionic liquid mixtures as amperometric gas sensing materials for oxygen and ammonia}, volume={145}, DOI={10.1039/c9an02153a}, number={5}, journal={The Analyst}, publisher={Royal Society of Chemistry (RSC)}, author={Lee, Junqiao and Hussain, Ghulam and Lopez Salas, Nieves and MacFarlane, Douglas R. and Silvester, Debbie S.}, year={2020}, pages={1915–1924} }","short":"J. Lee, G. Hussain, N. Lopez Salas, D.R. MacFarlane, D.S. Silvester, The Analyst 145 (2020) 1915–1924.","apa":"Lee, J., Hussain, G., Lopez Salas, N., MacFarlane, D. R., & Silvester, D. S. (2020). Thin films of poly(vinylidene fluoride-co-hexafluoropropylene)-ionic liquid mixtures as amperometric gas sensing materials for oxygen and ammonia. The Analyst, 145(5), 1915–1924. https://doi.org/10.1039/c9an02153a","ieee":"J. Lee, G. Hussain, N. Lopez Salas, D. R. MacFarlane, and D. S. Silvester, “Thin films of poly(vinylidene fluoride-co-hexafluoropropylene)-ionic liquid mixtures as amperometric gas sensing materials for oxygen and ammonia,” The Analyst, vol. 145, no. 5, pp. 1915–1924, 2020, doi: 10.1039/c9an02153a.","chicago":"Lee, Junqiao, Ghulam Hussain, Nieves Lopez Salas, Douglas R. MacFarlane, and Debbie S. Silvester. “Thin Films of Poly(Vinylidene Fluoride-Co-Hexafluoropropylene)-Ionic Liquid Mixtures as Amperometric Gas Sensing Materials for Oxygen and Ammonia.” The Analyst 145, no. 5 (2020): 1915–24. https://doi.org/10.1039/c9an02153a.","ama":"Lee J, Hussain G, Lopez Salas N, MacFarlane DR, Silvester DS. Thin films of poly(vinylidene fluoride-co-hexafluoropropylene)-ionic liquid mixtures as amperometric gas sensing materials for oxygen and ammonia. The Analyst. 2020;145(5):1915-1924. doi:10.1039/c9an02153a"},"intvolume":" 145","page":"1915-1924","year":"2020","user_id":"98120","_id":"40580","language":[{"iso":"eng"}],"keyword":["Electrochemistry","Spectroscopy","Environmental Chemistry","Biochemistry","Analytical Chemistry"],"type":"journal_article","publication":"The Analyst","status":"public","abstract":[{"text":"A gas sensor comprising of a planar electrode device covered with a thin layer of gel polymer electrolyte gave accurate and fast sensing responses for oxygen and ammonia detection in both the cathodic and anodic potential regions.
","lang":"eng"}]},{"_id":"41822","department":[{"_id":"314"}],"user_id":"237","keyword":["Electrochemistry","Spectroscopy","Surfaces and Interfaces","Condensed Matter Physics","General Materials Science"],"language":[{"iso":"eng"}],"publication":"Langmuir","type":"journal_article","status":"public","date_updated":"2023-02-06T12:23:04Z","publisher":"American Chemical Society (ACS)","volume":36,"author":[{"last_name":"Carl","full_name":"Carl, Nico","first_name":"Nico"},{"last_name":"Müller","full_name":"Müller, Wenke","first_name":"Wenke"},{"last_name":"Schweins","full_name":"Schweins, Ralf","first_name":"Ralf"},{"first_name":"Klaus","last_name":"Huber","full_name":"Huber, Klaus","id":"237"}],"date_created":"2023-02-06T12:15:47Z","title":"Controlling Self-Assembly with Light and Temperature","doi":"10.1021/acs.langmuir.9b03040","publication_identifier":{"issn":["0743-7463","1520-5827"]},"publication_status":"published","issue":"1","year":"2019","intvolume":" 36","page":"223-231","citation":{"ama":"Carl N, Müller W, Schweins R, Huber K. Controlling Self-Assembly with Light and Temperature. Langmuir. 2019;36(1):223-231. doi:10.1021/acs.langmuir.9b03040","ieee":"N. Carl, W. Müller, R. Schweins, and K. Huber, “Controlling Self-Assembly with Light and Temperature,” Langmuir, vol. 36, no. 1, pp. 223–231, 2019, doi: 10.1021/acs.langmuir.9b03040.","chicago":"Carl, Nico, Wenke Müller, Ralf Schweins, and Klaus Huber. “Controlling Self-Assembly with Light and Temperature.” Langmuir 36, no. 1 (2019): 223–31. https://doi.org/10.1021/acs.langmuir.9b03040.","short":"N. Carl, W. Müller, R. Schweins, K. Huber, Langmuir 36 (2019) 223–231.","mla":"Carl, Nico, et al. “Controlling Self-Assembly with Light and Temperature.” Langmuir, vol. 36, no. 1, American Chemical Society (ACS), 2019, pp. 223–31, doi:10.1021/acs.langmuir.9b03040.","bibtex":"@article{Carl_Müller_Schweins_Huber_2019, title={Controlling Self-Assembly with Light and Temperature}, volume={36}, DOI={10.1021/acs.langmuir.9b03040}, number={1}, journal={Langmuir}, publisher={American Chemical Society (ACS)}, author={Carl, Nico and Müller, Wenke and Schweins, Ralf and Huber, Klaus}, year={2019}, pages={223–231} }","apa":"Carl, N., Müller, W., Schweins, R., & Huber, K. (2019). Controlling Self-Assembly with Light and Temperature. Langmuir, 36(1), 223–231. https://doi.org/10.1021/acs.langmuir.9b03040"}},{"publisher":"American Chemical Society (ACS)","date_created":"2023-02-06T12:30:54Z","title":"Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths","issue":"37","year":"2019","keyword":["Electrochemistry","Spectroscopy","Surfaces and Interfaces","Condensed Matter Physics","General Materials Science"],"language":[{"iso":"eng"}],"publication":"Langmuir","date_updated":"2023-02-06T12:39:16Z","author":[{"full_name":"Hämisch, Benjamin","last_name":"Hämisch","first_name":"Benjamin"},{"first_name":"Anne","full_name":"Büngeler, Anne","last_name":"Büngeler"},{"full_name":"Kielar, Charlotte","last_name":"Kielar","first_name":"Charlotte"},{"last_name":"Keller","full_name":"Keller, Adrian","first_name":"Adrian"},{"first_name":"Oliver","last_name":"Strube","full_name":"Strube, Oliver"},{"first_name":"Klaus","id":"237","full_name":"Huber, Klaus","last_name":"Huber"}],"volume":35,"doi":"10.1021/acs.langmuir.9b01515","publication_status":"published","publication_identifier":{"issn":["0743-7463","1520-5827"]},"citation":{"apa":"Hämisch, B., Büngeler, A., Kielar, C., Keller, A., Strube, O., & Huber, K. (2019). Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths. Langmuir, 35(37), 12113–12122. https://doi.org/10.1021/acs.langmuir.9b01515","short":"B. Hämisch, A. Büngeler, C. Kielar, A. Keller, O. Strube, K. Huber, Langmuir 35 (2019) 12113–12122.","mla":"Hämisch, Benjamin, et al. “Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths.” Langmuir, vol. 35, no. 37, American Chemical Society (ACS), 2019, pp. 12113–22, doi:10.1021/acs.langmuir.9b01515.","bibtex":"@article{Hämisch_Büngeler_Kielar_Keller_Strube_Huber_2019, title={Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths}, volume={35}, DOI={10.1021/acs.langmuir.9b01515}, number={37}, journal={Langmuir}, publisher={American Chemical Society (ACS)}, author={Hämisch, Benjamin and Büngeler, Anne and Kielar, Charlotte and Keller, Adrian and Strube, Oliver and Huber, Klaus}, year={2019}, pages={12113–12122} }","ieee":"B. Hämisch, A. Büngeler, C. Kielar, A. Keller, O. Strube, and K. Huber, “Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths,” Langmuir, vol. 35, no. 37, pp. 12113–12122, 2019, doi: 10.1021/acs.langmuir.9b01515.","chicago":"Hämisch, Benjamin, Anne Büngeler, Charlotte Kielar, Adrian Keller, Oliver Strube, and Klaus Huber. “Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths.” Langmuir 35, no. 37 (2019): 12113–22. https://doi.org/10.1021/acs.langmuir.9b01515.","ama":"Hämisch B, Büngeler A, Kielar C, Keller A, Strube O, Huber K. Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths. Langmuir. 2019;35(37):12113-12122. doi:10.1021/acs.langmuir.9b01515"},"intvolume":" 35","page":"12113-12122","_id":"41828","user_id":"237","department":[{"_id":"314"}],"type":"journal_article","status":"public"},{"user_id":"100715","_id":"63969","language":[{"iso":"eng"}],"extern":"1","keyword":["dynamic nuclear-polarization","hyperpolarization","enhancement","hydrogen induced polarization","olefin-metathesis catalysts","parahydrogen-induced polarization","peptides","Physics","sabre","spectroscopy"],"type":"journal_article","publication":"Applied Magnetic Resonance","status":"public","abstract":[{"lang":"eng","text":"A number of Ir-N-heterocyclic carbene (Ir-NHC) complexes with asymmetric N-heterocyclic carbene (NHC) ligands have been prepared and examined for signal amplification by reversible exchange (SABRE). Pyridine was chosen as model compound for hyperpolarization experiments. This substrate was examined in a solvent mixture using several Ir-NHC complexes, which differ in their NHC ligands. The SABRE polarization was created at 6mT and the H-1 nuclear magnetic resonancesignals were detected at 7T. We show that asymmetric NHC ligands, because of their favorable chemistry, can adapt the SABREactive complexes to different chemical scenarios."}],"author":[{"first_name":"S.","full_name":"Hadjiali, S.","last_name":"Hadjiali"},{"first_name":"R.","last_name":"Savka","full_name":"Savka, R."},{"last_name":"Plaumann","full_name":"Plaumann, M.","first_name":"M."},{"first_name":"U.","full_name":"Bommerich, U.","last_name":"Bommerich"},{"first_name":"S.","last_name":"Bothe","full_name":"Bothe, S."},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"first_name":"T.","full_name":"Ratajczyk, T.","last_name":"Ratajczyk"},{"first_name":"J.","last_name":"Bernarding","full_name":"Bernarding, J."},{"last_name":"Limbach","full_name":"Limbach, H. H.","first_name":"H. H."},{"first_name":"H.","last_name":"Plenio","full_name":"Plenio, H."},{"first_name":"G.","last_name":"Buntkowsky","full_name":"Buntkowsky, G."}],"date_created":"2026-02-07T15:40:18Z","volume":50,"date_updated":"2026-02-17T16:17:34Z","doi":"10.1007/s00723-019-01115-x","title":"Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands","issue":"7","publication_identifier":{"issn":["1613-7507"]},"citation":{"apa":"Hadjiali, S., Savka, R., Plaumann, M., Bommerich, U., Bothe, S., Gutmann, T., Ratajczyk, T., Bernarding, J., Limbach, H. H., Plenio, H., & Buntkowsky, G. (2019). Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands. Applied Magnetic Resonance, 50(7), 895–902. https://doi.org/10.1007/s00723-019-01115-x","bibtex":"@article{Hadjiali_Savka_Plaumann_Bommerich_Bothe_Gutmann_Ratajczyk_Bernarding_Limbach_Plenio_et al._2019, title={Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands}, volume={50}, DOI={10.1007/s00723-019-01115-x}, number={7}, journal={Applied Magnetic Resonance}, author={Hadjiali, S. and Savka, R. and Plaumann, M. and Bommerich, U. and Bothe, S. and Gutmann, Torsten and Ratajczyk, T. and Bernarding, J. and Limbach, H. H. and Plenio, H. and et al.}, year={2019}, pages={895–902} }","short":"S. Hadjiali, R. Savka, M. Plaumann, U. Bommerich, S. Bothe, T. Gutmann, T. Ratajczyk, J. Bernarding, H.H. Limbach, H. Plenio, G. Buntkowsky, Applied Magnetic Resonance 50 (2019) 895–902.","mla":"Hadjiali, S., et al. “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands.” Applied Magnetic Resonance, vol. 50, no. 7, 2019, pp. 895–902, doi:10.1007/s00723-019-01115-x.","chicago":"Hadjiali, S., R. Savka, M. Plaumann, U. Bommerich, S. Bothe, Torsten Gutmann, T. Ratajczyk, et al. “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands.” Applied Magnetic Resonance 50, no. 7 (2019): 895–902. https://doi.org/10.1007/s00723-019-01115-x.","ieee":"S. Hadjiali et al., “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands,” Applied Magnetic Resonance, vol. 50, no. 7, pp. 895–902, 2019, doi: 10.1007/s00723-019-01115-x.","ama":"Hadjiali S, Savka R, Plaumann M, et al. Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands. Applied Magnetic Resonance. 2019;50(7):895–902. doi:10.1007/s00723-019-01115-x"},"intvolume":" 50","page":"895–902","year":"2019"}]