[{"citation":{"chicago":"Liu, Xin, and Thomas Werner. “Indirect Reduction of CO<sub>2</sub> and Recycling of Polymers by Manganese-Catalyzed Transfer Hydrogenation of Amides, Carbamates, Urea Derivatives, and Polyurethanes.” <i>Chemical Science</i> 12, no. 31 (2021): 10590–97. <a href=\"https://doi.org/10.1039/d1sc02663a\">https://doi.org/10.1039/d1sc02663a</a>.","ieee":"X. Liu and T. Werner, “Indirect reduction of CO<sub>2</sub> and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes,” <i>Chemical Science</i>, vol. 12, no. 31, pp. 10590–10597, 2021, doi: <a href=\"https://doi.org/10.1039/d1sc02663a\">10.1039/d1sc02663a</a>.","ama":"Liu X, Werner T. Indirect reduction of CO<sub>2</sub> and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes. <i>Chemical Science</i>. 2021;12(31):10590-10597. doi:<a href=\"https://doi.org/10.1039/d1sc02663a\">10.1039/d1sc02663a</a>","apa":"Liu, X., &#38; Werner, T. (2021). Indirect reduction of CO<sub>2</sub> and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes. <i>Chemical Science</i>, <i>12</i>(31), 10590–10597. <a href=\"https://doi.org/10.1039/d1sc02663a\">https://doi.org/10.1039/d1sc02663a</a>","mla":"Liu, Xin, and Thomas Werner. “Indirect Reduction of CO<sub>2</sub> and Recycling of Polymers by Manganese-Catalyzed Transfer Hydrogenation of Amides, Carbamates, Urea Derivatives, and Polyurethanes.” <i>Chemical Science</i>, vol. 12, no. 31, Royal Society of Chemistry (RSC), 2021, pp. 10590–97, doi:<a href=\"https://doi.org/10.1039/d1sc02663a\">10.1039/d1sc02663a</a>.","short":"X. Liu, T. Werner, Chemical Science 12 (2021) 10590–10597.","bibtex":"@article{Liu_Werner_2021, title={Indirect reduction of CO<sub>2</sub> and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes}, volume={12}, DOI={<a href=\"https://doi.org/10.1039/d1sc02663a\">10.1039/d1sc02663a</a>}, number={31}, journal={Chemical Science}, publisher={Royal Society of Chemistry (RSC)}, author={Liu, Xin and Werner, Thomas}, year={2021}, pages={10590–10597} }"},"intvolume":"        12","page":"10590-10597","year":"2021","issue":"31","publication_status":"published","publication_identifier":{"issn":["2041-6520","2041-6539"]},"doi":"10.1039/d1sc02663a","title":"Indirect reduction of CO<sub>2</sub> and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes","author":[{"first_name":"Xin","full_name":"Liu, Xin","last_name":"Liu"},{"full_name":"Werner, Thomas","id":"89271","last_name":"Werner","orcid":"https://orcid.org/0000-0001-9025-3244","first_name":"Thomas"}],"date_created":"2023-01-22T20:24:03Z","volume":12,"publisher":"Royal Society of Chemistry (RSC)","date_updated":"2025-11-10T08:49:01Z","status":"public","abstract":[{"text":"<p>A Mn–PNP complex proved to be a suitable catalyst for the transfer hydrogenation of amides, carbamates, urea derivatives and even polyurethanes.</p>","lang":"eng"}],"type":"journal_article","publication":"Chemical Science","language":[{"iso":"eng"}],"keyword":["T1","T3","CSSD"],"user_id":"89271","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"_id":"37944"},{"user_id":"89271","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"_id":"37945","status":"public","type":"journal_article","doi":"10.1039/d1gc00953b","author":[{"full_name":"Tönjes, Jan","last_name":"Tönjes","first_name":"Jan"},{"first_name":"Lars","full_name":"Longwitz, Lars","last_name":"Longwitz"},{"first_name":"Thomas","id":"89271","full_name":"Werner, Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner"}],"volume":23,"date_updated":"2025-11-10T08:48:01Z","citation":{"chicago":"Tönjes, Jan, Lars Longwitz, and Thomas Werner. “Poly(Methylhydrosiloxane) as a Reductant in the Catalytic Base-Free Wittig Reaction.” <i>Green Chemistry</i> 23, no. 13 (2021): 4852–57. <a href=\"https://doi.org/10.1039/d1gc00953b\">https://doi.org/10.1039/d1gc00953b</a>.","ieee":"J. Tönjes, L. Longwitz, and T. Werner, “Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction,” <i>Green Chemistry</i>, vol. 23, no. 13, pp. 4852–4857, 2021, doi: <a href=\"https://doi.org/10.1039/d1gc00953b\">10.1039/d1gc00953b</a>.","ama":"Tönjes J, Longwitz L, Werner T. Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction. <i>Green Chemistry</i>. 2021;23(13):4852-4857. doi:<a href=\"https://doi.org/10.1039/d1gc00953b\">10.1039/d1gc00953b</a>","bibtex":"@article{Tönjes_Longwitz_Werner_2021, title={Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction}, volume={23}, DOI={<a href=\"https://doi.org/10.1039/d1gc00953b\">10.1039/d1gc00953b</a>}, number={13}, journal={Green Chemistry}, publisher={Royal Society of Chemistry (RSC)}, author={Tönjes, Jan and Longwitz, Lars and Werner, Thomas}, year={2021}, pages={4852–4857} }","short":"J. Tönjes, L. Longwitz, T. Werner, Green Chemistry 23 (2021) 4852–4857.","mla":"Tönjes, Jan, et al. “Poly(Methylhydrosiloxane) as a Reductant in the Catalytic Base-Free Wittig Reaction.” <i>Green Chemistry</i>, vol. 23, no. 13, Royal Society of Chemistry (RSC), 2021, pp. 4852–57, doi:<a href=\"https://doi.org/10.1039/d1gc00953b\">10.1039/d1gc00953b</a>.","apa":"Tönjes, J., Longwitz, L., &#38; Werner, T. (2021). Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction. <i>Green Chemistry</i>, <i>23</i>(13), 4852–4857. <a href=\"https://doi.org/10.1039/d1gc00953b\">https://doi.org/10.1039/d1gc00953b</a>"},"intvolume":"        23","page":"4852-4857","publication_status":"published","publication_identifier":{"issn":["1463-9262","1463-9270"]},"language":[{"iso":"eng"}],"keyword":["T2","CSSD"],"abstract":[{"text":"<p>PMHS proved to be a suitable terminal reductant for P(<sc>iii</sc>)/P(<sc>v</sc>) redox cycling with a methyl-substituted phosphetane as catalyst and BuOAc as solvent. The formation of water by silanol condensation was identified as main pathway of siloxane formation.</p>","lang":"eng"}],"publication":"Green Chemistry","title":"Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction","date_created":"2023-01-22T20:25:13Z","publisher":"Royal Society of Chemistry (RSC)","year":"2021","issue":"13"},{"publisher":"American Chemical Society (ACS)","date_updated":"2025-11-10T08:48:33Z","volume":25,"date_created":"2025-11-05T15:26:05Z","author":[{"first_name":"Vivian","last_name":"Stefanow","full_name":"Stefanow, Vivian"},{"full_name":"Grandane, Aiga","last_name":"Grandane","first_name":"Aiga"},{"first_name":"Marcus","last_name":"Eh","full_name":"Eh, Marcus"},{"full_name":"Panten, Johannes","last_name":"Panten","first_name":"Johannes"},{"first_name":"Anke","full_name":"Spannenberg, Anke","last_name":"Spannenberg"},{"orcid":"0000-0001-9025-3244","last_name":"Werner","id":"89271","full_name":"Werner, Thomas","first_name":"Thomas"}],"title":"Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant","doi":"10.1021/acs.oprd.0c00423","publication_identifier":{"issn":["1083-6160","1520-586X"]},"publication_status":"published","issue":"1","year":"2021","page":"89-97","intvolume":"        25","citation":{"ama":"Stefanow V, Grandane A, Eh M, Panten J, Spannenberg A, Werner T. Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant. <i>Organic Process Research &#38;amp; Development</i>. 2021;25(1):89-97. doi:<a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>","ieee":"V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, and T. Werner, “Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant,” <i>Organic Process Research &#38;amp; Development</i>, vol. 25, no. 1, pp. 89–97, 2021, doi: <a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>.","chicago":"Stefanow, Vivian, Aiga Grandane, Marcus Eh, Johannes Panten, Anke Spannenberg, and Thomas Werner. “Stereoselective Synthesis of a<i>Cis</i>-Cedrane-8,9-Diol as a Key Intermediate for an Amber Odorant.” <i>Organic Process Research &#38;amp; Development</i> 25, no. 1 (2021): 89–97. <a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">https://doi.org/10.1021/acs.oprd.0c00423</a>.","bibtex":"@article{Stefanow_Grandane_Eh_Panten_Spannenberg_Werner_2021, title={Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant}, volume={25}, DOI={<a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>}, number={1}, journal={Organic Process Research &#38;amp; Development}, publisher={American Chemical Society (ACS)}, author={Stefanow, Vivian and Grandane, Aiga and Eh, Marcus and Panten, Johannes and Spannenberg, Anke and Werner, Thomas}, year={2021}, pages={89–97} }","mla":"Stefanow, Vivian, et al. “Stereoselective Synthesis of a<i>Cis</i>-Cedrane-8,9-Diol as a Key Intermediate for an Amber Odorant.” <i>Organic Process Research &#38;amp; Development</i>, vol. 25, no. 1, American Chemical Society (ACS), 2021, pp. 89–97, doi:<a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>.","short":"V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research &#38;amp; Development 25 (2021) 89–97.","apa":"Stefanow, V., Grandane, A., Eh, M., Panten, J., Spannenberg, A., &#38; Werner, T. (2021). Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant. <i>Organic Process Research &#38;amp; Development</i>, <i>25</i>(1), 89–97. <a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">https://doi.org/10.1021/acs.oprd.0c00423</a>"},"_id":"62098","department":[{"_id":"35"},{"_id":"2"}],"user_id":"89271","keyword":["T4","CSSD"],"language":[{"iso":"eng"}],"publication":"Organic Process Research &amp; Development","type":"journal_article","status":"public"},{"keyword":["T4","CSSD"],"language":[{"iso":"eng"}],"publication":"Organic Process Research &amp; Development","title":"Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant","publisher":"American Chemical Society (ACS)","date_created":"2025-11-05T15:28:23Z","year":"2021","issue":"1","_id":"62099","department":[{"_id":"35"},{"_id":"2"}],"user_id":"89271","status":"public","type":"journal_article","doi":"10.1021/acs.oprd.0c00423","date_updated":"2025-11-10T08:49:27Z","volume":25,"author":[{"full_name":"Stefanow, Vivian","last_name":"Stefanow","first_name":"Vivian"},{"last_name":"Grandane","full_name":"Grandane, Aiga","first_name":"Aiga"},{"last_name":"Eh","full_name":"Eh, Marcus","first_name":"Marcus"},{"last_name":"Panten","full_name":"Panten, Johannes","first_name":"Johannes"},{"first_name":"Anke","last_name":"Spannenberg","full_name":"Spannenberg, Anke"},{"first_name":"Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner","full_name":"Werner, Thomas","id":"89271"}],"intvolume":"        25","page":"89-97","citation":{"ieee":"V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, and T. Werner, “Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant,” <i>Organic Process Research &#38;amp; Development</i>, vol. 25, no. 1, pp. 89–97, 2021, doi: <a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>.","chicago":"Stefanow, Vivian, Aiga Grandane, Marcus Eh, Johannes Panten, Anke Spannenberg, and Thomas Werner. “Stereoselective Synthesis of a<i>Cis</i>-Cedrane-8,9-Diol as a Key Intermediate for an Amber Odorant.” <i>Organic Process Research &#38;amp; Development</i> 25, no. 1 (2021): 89–97. <a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">https://doi.org/10.1021/acs.oprd.0c00423</a>.","ama":"Stefanow V, Grandane A, Eh M, Panten J, Spannenberg A, Werner T. Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant. <i>Organic Process Research &#38;amp; Development</i>. 2021;25(1):89-97. doi:<a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>","short":"V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research &#38;amp; Development 25 (2021) 89–97.","bibtex":"@article{Stefanow_Grandane_Eh_Panten_Spannenberg_Werner_2021, title={Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant}, volume={25}, DOI={<a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>}, number={1}, journal={Organic Process Research &#38;amp; Development}, publisher={American Chemical Society (ACS)}, author={Stefanow, Vivian and Grandane, Aiga and Eh, Marcus and Panten, Johannes and Spannenberg, Anke and Werner, Thomas}, year={2021}, pages={89–97} }","mla":"Stefanow, Vivian, et al. “Stereoselective Synthesis of a<i>Cis</i>-Cedrane-8,9-Diol as a Key Intermediate for an Amber Odorant.” <i>Organic Process Research &#38;amp; Development</i>, vol. 25, no. 1, American Chemical Society (ACS), 2021, pp. 89–97, doi:<a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">10.1021/acs.oprd.0c00423</a>.","apa":"Stefanow, V., Grandane, A., Eh, M., Panten, J., Spannenberg, A., &#38; Werner, T. (2021). Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant. <i>Organic Process Research &#38;amp; Development</i>, <i>25</i>(1), 89–97. <a href=\"https://doi.org/10.1021/acs.oprd.0c00423\">https://doi.org/10.1021/acs.oprd.0c00423</a>"},"publication_identifier":{"issn":["1083-6160","1520-586X"]},"publication_status":"published"},{"date_updated":"2025-11-10T08:48:20Z","publisher":"Elsevier BV","volume":225,"author":[{"last_name":"Wirth","full_name":"Wirth, Marisa A.","first_name":"Marisa A."},{"last_name":"Longwitz","full_name":"Longwitz, Lars","first_name":"Lars"},{"first_name":"Marion","full_name":"Kanwischer, Marion","last_name":"Kanwischer"},{"last_name":"Gros","full_name":"Gros, Peter","first_name":"Peter"},{"last_name":"Leinweber","full_name":"Leinweber, Peter","first_name":"Peter"},{"last_name":"Werner","orcid":"https://orcid.org/0000-0001-9025-3244","full_name":"Werner, Thomas","id":"89271","first_name":"Thomas"}],"date_created":"2023-01-22T20:23:06Z","title":"AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate","doi":"10.1016/j.ecoenv.2021.112768","publication_identifier":{"issn":["0147-6513"]},"publication_status":"published","year":"2021","intvolume":"       225","citation":{"apa":"Wirth, M. A., Longwitz, L., Kanwischer, M., Gros, P., Leinweber, P., &#38; Werner, T. (2021). AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate. <i>Ecotoxicology and Environmental Safety</i>, <i>225</i>, Article 112768. <a href=\"https://doi.org/10.1016/j.ecoenv.2021.112768\">https://doi.org/10.1016/j.ecoenv.2021.112768</a>","short":"M.A. Wirth, L. Longwitz, M. Kanwischer, P. Gros, P. Leinweber, T. Werner, Ecotoxicology and Environmental Safety 225 (2021).","mla":"Wirth, Marisa A., et al. “AMPA-15N – Synthesis and Application as Standard Compound in Traceable Degradation Studies of Glyphosate.” <i>Ecotoxicology and Environmental Safety</i>, vol. 225, 112768, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.ecoenv.2021.112768\">10.1016/j.ecoenv.2021.112768</a>.","bibtex":"@article{Wirth_Longwitz_Kanwischer_Gros_Leinweber_Werner_2021, title={AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate}, volume={225}, DOI={<a href=\"https://doi.org/10.1016/j.ecoenv.2021.112768\">10.1016/j.ecoenv.2021.112768</a>}, number={112768}, journal={Ecotoxicology and Environmental Safety}, publisher={Elsevier BV}, author={Wirth, Marisa A. and Longwitz, Lars and Kanwischer, Marion and Gros, Peter and Leinweber, Peter and Werner, Thomas}, year={2021} }","ama":"Wirth MA, Longwitz L, Kanwischer M, Gros P, Leinweber P, Werner T. AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate. <i>Ecotoxicology and Environmental Safety</i>. 2021;225. doi:<a href=\"https://doi.org/10.1016/j.ecoenv.2021.112768\">10.1016/j.ecoenv.2021.112768</a>","ieee":"M. A. Wirth, L. Longwitz, M. Kanwischer, P. Gros, P. Leinweber, and T. Werner, “AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate,” <i>Ecotoxicology and Environmental Safety</i>, vol. 225, Art. no. 112768, 2021, doi: <a href=\"https://doi.org/10.1016/j.ecoenv.2021.112768\">10.1016/j.ecoenv.2021.112768</a>.","chicago":"Wirth, Marisa A., Lars Longwitz, Marion Kanwischer, Peter Gros, Peter Leinweber, and Thomas Werner. “AMPA-15N – Synthesis and Application as Standard Compound in Traceable Degradation Studies of Glyphosate.” <i>Ecotoxicology and Environmental Safety</i> 225 (2021). <a href=\"https://doi.org/10.1016/j.ecoenv.2021.112768\">https://doi.org/10.1016/j.ecoenv.2021.112768</a>."},"_id":"37943","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"user_id":"89271","keyword":["T4","CSSD"],"article_number":"112768","language":[{"iso":"eng"}],"publication":"Ecotoxicology and Environmental Safety","type":"journal_article","status":"public"},{"year":"2021","issue":"4","title":"Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides","publisher":"Wiley","date_created":"2023-01-22T20:30:29Z","publication":"Advanced Synthesis and Catalysis","keyword":["T1","T3","CSSD"],"language":[{"iso":"eng"}],"citation":{"bibtex":"@article{Liu_Werner_2021, title={Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides}, volume={363}, DOI={<a href=\"https://doi.org/10.1002/adsc.202001209\">10.1002/adsc.202001209</a>}, number={4}, journal={Advanced Synthesis and Catalysis}, publisher={Wiley}, author={Liu, Xin and Werner, Thomas}, year={2021}, pages={1096–1104} }","mla":"Liu, Xin, and Thomas Werner. “Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides.” <i>Advanced Synthesis and Catalysis</i>, vol. 363, no. 4, Wiley, 2021, pp. 1096–104, doi:<a href=\"https://doi.org/10.1002/adsc.202001209\">10.1002/adsc.202001209</a>.","short":"X. Liu, T. Werner, Advanced Synthesis and Catalysis 363 (2021) 1096–1104.","apa":"Liu, X., &#38; Werner, T. (2021). Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides. <i>Advanced Synthesis and Catalysis</i>, <i>363</i>(4), 1096–1104. <a href=\"https://doi.org/10.1002/adsc.202001209\">https://doi.org/10.1002/adsc.202001209</a>","ama":"Liu X, Werner T. Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides. <i>Advanced Synthesis and Catalysis</i>. 2021;363(4):1096-1104. doi:<a href=\"https://doi.org/10.1002/adsc.202001209\">10.1002/adsc.202001209</a>","ieee":"X. Liu and T. Werner, “Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides,” <i>Advanced Synthesis and Catalysis</i>, vol. 363, no. 4, pp. 1096–1104, 2021, doi: <a href=\"https://doi.org/10.1002/adsc.202001209\">10.1002/adsc.202001209</a>.","chicago":"Liu, Xin, and Thomas Werner. “Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides.” <i>Advanced Synthesis and Catalysis</i> 363, no. 4 (2021): 1096–1104. <a href=\"https://doi.org/10.1002/adsc.202001209\">https://doi.org/10.1002/adsc.202001209</a>."},"intvolume":"       363","page":"1096-1104","publication_status":"published","publication_identifier":{"issn":["1615-4150","1615-4169"]},"doi":"10.1002/adsc.202001209","date_updated":"2025-11-10T08:48:47Z","author":[{"last_name":"Liu","full_name":"Liu, Xin","first_name":"Xin"},{"first_name":"Thomas","full_name":"Werner, Thomas","id":"89271","last_name":"Werner","orcid":"https://orcid.org/0000-0001-9025-3244"}],"volume":363,"status":"public","type":"journal_article","extern":"1","_id":"37948","user_id":"89271","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}]},{"volume":11,"author":[{"id":"116779","full_name":"Linnemann, Julia","orcid":"0000-0001-6883-5424","last_name":"Linnemann","first_name":"Julia"},{"full_name":"Kanokkanchana, Kannasoot","last_name":"Kanokkanchana","first_name":"Kannasoot"},{"full_name":"Tschulik, Kristina","last_name":"Tschulik","first_name":"Kristina"}],"oa":"1","date_updated":"2025-12-03T16:32:18Z","doi":"10.1021/acscatal.0c04118","main_file_link":[{"open_access":"1","url":"https://pubs.acs.org/doi/full/10.1021/acscatal.0c04118"}],"publication_identifier":{"issn":["2155-5435","2155-5435"]},"publication_status":"published","page":"5318-5346","intvolume":"        11","citation":{"bibtex":"@article{Linnemann_Kanokkanchana_Tschulik_2021, title={Design Strategies for Electrocatalysts from an Electrochemist’s Perspective}, volume={11}, DOI={<a href=\"https://doi.org/10.1021/acscatal.0c04118\">10.1021/acscatal.0c04118</a>}, number={9}, journal={ACS Catalysis}, publisher={American Chemical Society (ACS)}, author={Linnemann, Julia and Kanokkanchana, Kannasoot and Tschulik, Kristina}, year={2021}, pages={5318–5346} }","short":"J. Linnemann, K. Kanokkanchana, K. Tschulik, ACS Catalysis 11 (2021) 5318–5346.","mla":"Linnemann, Julia, et al. “Design Strategies for Electrocatalysts from an Electrochemist’s Perspective.” <i>ACS Catalysis</i>, vol. 11, no. 9, American Chemical Society (ACS), 2021, pp. 5318–46, doi:<a href=\"https://doi.org/10.1021/acscatal.0c04118\">10.1021/acscatal.0c04118</a>.","apa":"Linnemann, J., Kanokkanchana, K., &#38; Tschulik, K. (2021). Design Strategies for Electrocatalysts from an Electrochemist’s Perspective. <i>ACS Catalysis</i>, <i>11</i>(9), 5318–5346. <a href=\"https://doi.org/10.1021/acscatal.0c04118\">https://doi.org/10.1021/acscatal.0c04118</a>","chicago":"Linnemann, Julia, Kannasoot Kanokkanchana, and Kristina Tschulik. “Design Strategies for Electrocatalysts from an Electrochemist’s Perspective.” <i>ACS Catalysis</i> 11, no. 9 (2021): 5318–46. <a href=\"https://doi.org/10.1021/acscatal.0c04118\">https://doi.org/10.1021/acscatal.0c04118</a>.","ieee":"J. Linnemann, K. Kanokkanchana, and K. Tschulik, “Design Strategies for Electrocatalysts from an Electrochemist’s Perspective,” <i>ACS Catalysis</i>, vol. 11, no. 9, pp. 5318–5346, 2021, doi: <a href=\"https://doi.org/10.1021/acscatal.0c04118\">10.1021/acscatal.0c04118</a>.","ama":"Linnemann J, Kanokkanchana K, Tschulik K. Design Strategies for Electrocatalysts from an Electrochemist’s Perspective. <i>ACS Catalysis</i>. 2021;11(9):5318-5346. doi:<a href=\"https://doi.org/10.1021/acscatal.0c04118\">10.1021/acscatal.0c04118</a>"},"department":[{"_id":"985"}],"user_id":"116779","_id":"62803","extern":"1","article_type":"review","type":"journal_article","status":"public","date_created":"2025-12-03T15:31:28Z","publisher":"American Chemical Society (ACS)","title":"Design Strategies for Electrocatalysts from an Electrochemist’s Perspective","issue":"9","quality_controlled":"1","year":"2021","language":[{"iso":"eng"}],"keyword":["electrocatalysis"],"publication":"ACS Catalysis","abstract":[{"lang":"eng","text":"The aim to produce highly active, selective, and long-lived electrocatalysts by design drives major research efforts toward gaining fundamental understanding of the relationship between material properties and their catalytic performance. Surface characterization tools enable to assess atomic scale information on the complexity of electrocatalyst materials. Advancing electrochemical methodologies to adequately characterize such systems was less of a research focus point. In this Review, we shed light on the ability to gain fundamental insights into electrocatalysis from a complementary perspective and establish corresponding design strategies. These may rely on adopting the perceptions and models of other subareas of electrochemistry, such as corrosion, battery research, or electrodeposition. Concepts on how to account for and improve mass transport, manage gas bubble release, or exploit magnetic fields are highlighted in this respect. Particular attention is paid to deriving design strategies for nanoelectrocatalysts, which is often impeded, as structural and physical material properties are buried in electrochemical data of whole electrodes or even devices. Thus, a second major approach focuses on overcoming this difference in the considered level of complexity by methods of single-entity electrochemistry. The gained understanding of intrinsic catalyst performance may allow to rationally advance design concepts with increased complexity, such as three-dimensional electrode architectures. Many materials undergo structural changes upon formation of the working catalyst. Accordingly, developing “precatalysts” with low hindrance of the electrochemical transformation to the active catalyst is suggested as a final design strategy."}]},{"author":[{"full_name":"Azimzadeh Sani, Mahnaz","last_name":"Azimzadeh Sani","first_name":"Mahnaz"},{"first_name":"Nicholas G.","full_name":"Pavlopoulos, Nicholas G.","last_name":"Pavlopoulos"},{"last_name":"Pezzotti","full_name":"Pezzotti, Simone","first_name":"Simone"},{"first_name":"Alessandra","last_name":"Serva","full_name":"Serva, Alessandra"},{"last_name":"Cignoni","full_name":"Cignoni, Paolo","first_name":"Paolo"},{"first_name":"Julia","last_name":"Linnemann","orcid":"0000-0001-6883-5424","full_name":"Linnemann, Julia","id":"116779"},{"full_name":"Salanne, Mathieu","last_name":"Salanne","first_name":"Mathieu"},{"full_name":"Gaigeot, Marie‐Pierre","last_name":"Gaigeot","first_name":"Marie‐Pierre"},{"first_name":"Kristina","full_name":"Tschulik, Kristina","last_name":"Tschulik"}],"volume":61,"date_updated":"2025-12-03T16:31:54Z","oa":"1","main_file_link":[{"open_access":"1"}],"doi":"10.1002/anie.202112679","publication_status":"published","publication_identifier":{"issn":["1433-7851","1521-3773"]},"citation":{"apa":"Azimzadeh Sani, M., Pavlopoulos, N. G., Pezzotti, S., Serva, A., Cignoni, P., Linnemann, J., Salanne, M., Gaigeot, M., &#38; Tschulik, K. (2021). Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer. <i>Angewandte Chemie International Edition</i>, <i>61</i>(5), Article e202112679. <a href=\"https://doi.org/10.1002/anie.202112679\">https://doi.org/10.1002/anie.202112679</a>","mla":"Azimzadeh Sani, Mahnaz, et al. “Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer.” <i>Angewandte Chemie International Edition</i>, vol. 61, no. 5, e202112679, Wiley, 2021, doi:<a href=\"https://doi.org/10.1002/anie.202112679\">10.1002/anie.202112679</a>.","short":"M. Azimzadeh Sani, N.G. Pavlopoulos, S. Pezzotti, A. Serva, P. Cignoni, J. Linnemann, M. Salanne, M. Gaigeot, K. Tschulik, Angewandte Chemie International Edition 61 (2021).","bibtex":"@article{Azimzadeh Sani_Pavlopoulos_Pezzotti_Serva_Cignoni_Linnemann_Salanne_Gaigeot_Tschulik_2021, title={Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer}, volume={61}, DOI={<a href=\"https://doi.org/10.1002/anie.202112679\">10.1002/anie.202112679</a>}, number={5e202112679}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Azimzadeh Sani, Mahnaz and Pavlopoulos, Nicholas G. and Pezzotti, Simone and Serva, Alessandra and Cignoni, Paolo and Linnemann, Julia and Salanne, Mathieu and Gaigeot, Marie‐Pierre and Tschulik, Kristina}, year={2021} }","ama":"Azimzadeh Sani M, Pavlopoulos NG, Pezzotti S, et al. Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer. <i>Angewandte Chemie International Edition</i>. 2021;61(5). doi:<a href=\"https://doi.org/10.1002/anie.202112679\">10.1002/anie.202112679</a>","ieee":"M. Azimzadeh Sani <i>et al.</i>, “Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer,” <i>Angewandte Chemie International Edition</i>, vol. 61, no. 5, Art. no. e202112679, 2021, doi: <a href=\"https://doi.org/10.1002/anie.202112679\">10.1002/anie.202112679</a>.","chicago":"Azimzadeh Sani, Mahnaz, Nicholas G. Pavlopoulos, Simone Pezzotti, Alessandra Serva, Paolo Cignoni, Julia Linnemann, Mathieu Salanne, Marie‐Pierre Gaigeot, and Kristina Tschulik. “Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer.” <i>Angewandte Chemie International Edition</i> 61, no. 5 (2021). <a href=\"https://doi.org/10.1002/anie.202112679\">https://doi.org/10.1002/anie.202112679</a>."},"intvolume":"        61","user_id":"116779","department":[{"_id":"985"}],"_id":"62806","extern":"1","article_number":"e202112679","article_type":"original","type":"journal_article","status":"public","date_created":"2025-12-03T15:39:25Z","publisher":"Wiley","title":"Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer","issue":"5","quality_controlled":"1","year":"2021","language":[{"iso":"eng"}],"keyword":["single-entity electrochemistry","electrical double layer","supercapacitor","nanoparticles"],"publication":"Angewandte Chemie International Edition","abstract":[{"lang":"eng","text":"The electrical double‐layer plays a key role in important interfacial electrochemical processes from catalysis to energy storage and corrosion. Therefore, understanding its structure is crucial for the progress of sustainable technologies. We extract new physico‐chemical information on the capacitance and structure of the electrical double‐layer of platinum and gold nanoparticles at the molecular level, employing single nanoparticle electrochemistry. The charge storage ability of the solid/liquid interface is larger by one order‐of‐magnitude than predicted by the traditional mean‐field models of the double‐layer such as the Gouy–Chapman–Stern model. Performing molecular dynamics simulations, we investigate the possible relationship between the measured high capacitance and adsorption strength of the water adlayer formed at the metal surface. These insights may launch the active tuning of solid–solvent and solvent–solvent interactions as an innovative design strategy to transform energy technologies towards superior performance and sustainability."}]},{"status":"public","type":"journal_article","article_number":"13137","article_type":"original","extern":"1","_id":"62805","user_id":"116779","department":[{"_id":"985"}],"citation":{"short":"Z. Liu, M. Corva, H.M.A. Amin, N. Blanc, J. Linnemann, K. Tschulik, International Journal of Molecular Sciences 22 (2021).","bibtex":"@article{Liu_Corva_Amin_Blanc_Linnemann_Tschulik_2021, title={Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects}, volume={22}, DOI={<a href=\"https://doi.org/10.3390/ijms222313137\">10.3390/ijms222313137</a>}, number={2313137}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Liu, Zhibin and Corva, Manuel and Amin, Hatem M. A. and Blanc, Niclas and Linnemann, Julia and Tschulik, Kristina}, year={2021} }","mla":"Liu, Zhibin, et al. “Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects.” <i>International Journal of Molecular Sciences</i>, vol. 22, no. 23, 13137, MDPI AG, 2021, doi:<a href=\"https://doi.org/10.3390/ijms222313137\">10.3390/ijms222313137</a>.","apa":"Liu, Z., Corva, M., Amin, H. M. A., Blanc, N., Linnemann, J., &#38; Tschulik, K. (2021). Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects. <i>International Journal of Molecular Sciences</i>, <i>22</i>(23), Article 13137. <a href=\"https://doi.org/10.3390/ijms222313137\">https://doi.org/10.3390/ijms222313137</a>","chicago":"Liu, Zhibin, Manuel Corva, Hatem M. A. Amin, Niclas Blanc, Julia Linnemann, and Kristina Tschulik. “Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects.” <i>International Journal of Molecular Sciences</i> 22, no. 23 (2021). <a href=\"https://doi.org/10.3390/ijms222313137\">https://doi.org/10.3390/ijms222313137</a>.","ieee":"Z. Liu, M. Corva, H. M. A. Amin, N. Blanc, J. Linnemann, and K. Tschulik, “Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects,” <i>International Journal of Molecular Sciences</i>, vol. 22, no. 23, Art. no. 13137, 2021, doi: <a href=\"https://doi.org/10.3390/ijms222313137\">10.3390/ijms222313137</a>.","ama":"Liu Z, Corva M, Amin HMA, Blanc N, Linnemann J, Tschulik K. Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects. <i>International Journal of Molecular Sciences</i>. 2021;22(23). doi:<a href=\"https://doi.org/10.3390/ijms222313137\">10.3390/ijms222313137</a>"},"intvolume":"        22","publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"main_file_link":[{"open_access":"1"}],"doi":"10.3390/ijms222313137","date_updated":"2025-12-03T16:52:35Z","oa":"1","author":[{"first_name":"Zhibin","last_name":"Liu","full_name":"Liu, Zhibin"},{"full_name":"Corva, Manuel","last_name":"Corva","first_name":"Manuel"},{"last_name":"Amin","full_name":"Amin, Hatem M. A.","first_name":"Hatem M. A."},{"first_name":"Niclas","last_name":"Blanc","full_name":"Blanc, Niclas"},{"id":"116779","full_name":"Linnemann, Julia","last_name":"Linnemann","orcid":"0000-0001-6883-5424","first_name":"Julia"},{"full_name":"Tschulik, Kristina","last_name":"Tschulik","first_name":"Kristina"}],"volume":22,"abstract":[{"lang":"eng","text":"Single-entity electrochemistry allows for assessing electrocatalytic activities of individual material entities such as nanoparticles (NPs). Thus, it becomes possible to consider intrinsic electrochemical properties of nanocatalysts when researching how activity relates to physical and structural material properties. Conversely, conventional electrochemical techniques provide a normalized sum current referring to a huge ensemble of NPs constituting, along with additives (e.g., binders), a complete catalyst-coated electrode. Accordingly, recording electrocatalytic responses of single NPs avoids interferences of ensemble effects and reduces the complexity of electrocatalytic processes, thus enabling detailed description and modelling. Herein, we present insights into the oxygen evolution catalysis at individual cubic Co3O4 NPs impacting microelectrodes of different support materials. Simulating diffusion at supported nanocubes, measured step current signals can be analyzed, providing edge lengths, corresponding size distributions, and interference-free turnover frequencies. The provided nano-impact investigation of (electro-)catalyst-support effects contradicts assumptions on a low number of highly active sites."}],"publication":"International Journal of Molecular Sciences","keyword":["electrocatalysis","oxygen evolution reaction","cobalt spinel","single-entity electrochemistry"],"language":[{"iso":"eng"}],"year":"2021","quality_controlled":"1","issue":"23","title":"Single Co<sub>3</sub>O<sub>4</sub> Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects","publisher":"MDPI AG","date_created":"2025-12-03T15:35:52Z"},{"status":"public","editor":[{"first_name":"Marcus","full_name":"Kubsch, Marcus","last_name":"Kubsch"},{"first_name":"Stefan","last_name":"Sorge","full_name":"Sorge, Stefan"},{"first_name":"Julia","last_name":"Arnold","full_name":"Arnold, Julia"},{"full_name":"Graulich, Nicole","last_name":"Graulich","first_name":"Nicole"}],"type":"book_chapter","publication":"Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken","language":[{"iso":"ger"}],"user_id":"54823","department":[{"_id":"386"},{"_id":"33"}],"_id":"23733","citation":{"ama":"Pollmeier P, Fechner S. Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht. In: Kubsch M, Sorge S, Arnold J, Graulich N, eds. <i>Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken</i>. Waxmann; 2021:150-154. doi:<a href=\"https://doi.org/10.31244/9783830993490\">10.31244/9783830993490</a>","ieee":"P. Pollmeier and S. Fechner, “Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht,” in <i>Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken</i>, M. Kubsch, S. Sorge, J. Arnold, and N. Graulich, Eds. Waxmann, 2021, pp. 150–154.","chicago":"Pollmeier, Pascal, and Sabine Fechner. “Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht.” In <i>Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken</i>, edited by Marcus Kubsch, Stefan Sorge, Julia Arnold, and Nicole Graulich, 150–54. Waxmann, 2021. <a href=\"https://doi.org/10.31244/9783830993490\">https://doi.org/10.31244/9783830993490</a>.","short":"P. Pollmeier, S. Fechner, in: M. Kubsch, S. Sorge, J. Arnold, N. Graulich (Eds.), Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, Waxmann, 2021, pp. 150–154.","mla":"Pollmeier, Pascal, and Sabine Fechner. “Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht.” <i>Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken</i>, edited by Marcus Kubsch et al., Waxmann, 2021, pp. 150–54, doi:<a href=\"https://doi.org/10.31244/9783830993490\">10.31244/9783830993490</a>.","bibtex":"@inbook{Pollmeier_Fechner_2021, title={Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht}, DOI={<a href=\"https://doi.org/10.31244/9783830993490\">10.31244/9783830993490</a>}, booktitle={Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken}, publisher={Waxmann}, author={Pollmeier, Pascal and Fechner, Sabine}, editor={Kubsch, Marcus and Sorge, Stefan and Arnold, Julia and Graulich, Nicole}, year={2021}, pages={150–154} }","apa":"Pollmeier, P., &#38; Fechner, S. (2021). Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht. In M. Kubsch, S. Sorge, J. Arnold, &#38; N. Graulich (Eds.), <i>Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken</i> (pp. 150–154). Waxmann. <a href=\"https://doi.org/10.31244/9783830993490\">https://doi.org/10.31244/9783830993490</a>"},"page":"150-154","year":"2021","publication_status":"published","publication_identifier":{"isbn":["9783830943495"]},"main_file_link":[{"open_access":"1","url":"https://www.waxmann.com/shop/download?tx_p2waxmann_download%5Baction%5D=download&tx_p2waxmann_download%5Bbuchnr%5D=4349&tx_p2waxmann_download%5Bcontroller%5D=Zeitschrift&cHash=4ac498ffa50e3b0ac5dff4f160ffbc85"}],"doi":"10.31244/9783830993490","title":"Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht","author":[{"last_name":"Pollmeier","full_name":"Pollmeier, Pascal","id":"44191","first_name":"Pascal"},{"full_name":"Fechner, Sabine","id":"54823","last_name":"Fechner","orcid":"0000-0001-5645-5870","first_name":"Sabine"}],"date_created":"2021-09-03T09:41:21Z","date_updated":"2025-12-03T18:02:50Z","oa":"1","publisher":"Waxmann"},{"date_updated":"2025-12-03T18:13:33Z","publisher":"Springer Fachmedien","date_created":"2021-11-02T21:05:48Z","author":[{"id":"44191","full_name":"Pollmeier, Pascal","last_name":"Pollmeier","first_name":"Pascal"},{"first_name":"Sabine","full_name":"Fechner, Sabine","id":"54823","orcid":"0000-0001-5645-5870","last_name":"Fechner"}],"title":"Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten","doi":"10.1007/978-3-658-32568-8_16","publication_status":"published","publication_identifier":{"issn":["2524-8677","2524-8685"]},"quality_controlled":"1","place":"Wiesbaden","year":"2021","citation":{"mla":"Pollmeier, Pascal, and Sabine Fechner. “Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten.” <i>Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken</i>, edited by Carina Caruso et al., Springer Fachmedien, 2021, doi:<a href=\"https://doi.org/10.1007/978-3-658-32568-8_16\">10.1007/978-3-658-32568-8_16</a>.","bibtex":"@inbook{Pollmeier_Fechner_2021, place={Wiesbaden}, title={Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten}, DOI={<a href=\"https://doi.org/10.1007/978-3-658-32568-8_16\">10.1007/978-3-658-32568-8_16</a>}, booktitle={Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken}, publisher={Springer Fachmedien}, author={Pollmeier, Pascal and Fechner, Sabine}, editor={Caruso, Carina and Harteis, Christian  and Gröschner, Alexander}, year={2021} }","short":"P. Pollmeier, S. Fechner, in: C. Caruso, C. Harteis, A. Gröschner (Eds.), Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, Springer Fachmedien, Wiesbaden, 2021.","apa":"Pollmeier, P., &#38; Fechner, S. (2021). Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten. In C. Caruso, C. Harteis, &#38; A. Gröschner (Eds.), <i>Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken</i>. Springer Fachmedien. <a href=\"https://doi.org/10.1007/978-3-658-32568-8_16\">https://doi.org/10.1007/978-3-658-32568-8_16</a>","ama":"Pollmeier P, Fechner S. Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten. In: Caruso C, Harteis C, Gröschner A, eds. <i>Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken</i>. Springer Fachmedien; 2021. doi:<a href=\"https://doi.org/10.1007/978-3-658-32568-8_16\">10.1007/978-3-658-32568-8_16</a>","ieee":"P. Pollmeier and S. Fechner, “Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten,” in <i>Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken</i>, C. Caruso, C. Harteis, and A. Gröschner, Eds. Wiesbaden: Springer Fachmedien, 2021.","chicago":"Pollmeier, Pascal, and Sabine Fechner. “Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten.” In <i>Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken</i>, edited by Carina Caruso, Christian  Harteis, and Alexander Gröschner. Wiesbaden: Springer Fachmedien, 2021. <a href=\"https://doi.org/10.1007/978-3-658-32568-8_16\">https://doi.org/10.1007/978-3-658-32568-8_16</a>."},"_id":"27071","user_id":"54823","department":[{"_id":"386"},{"_id":"33"}],"language":[{"iso":"ger"}],"type":"book_chapter","publication":"Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken","editor":[{"last_name":"Caruso","full_name":"Caruso, Carina","first_name":"Carina"},{"first_name":"Christian ","last_name":"Harteis","full_name":"Harteis, Christian "},{"first_name":"Alexander","full_name":"Gröschner, Alexander","last_name":"Gröschner"}],"status":"public"},{"publication_status":"published","place":"Bielefeld","intvolume":"         3","page":"155-168","citation":{"ieee":"A. Bauer, M. Sacher, S. Habig, and S. Fechner, “Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften,” in <i>Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre</i>, vol. 3, I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, and N. Vöing, Eds. Bielefeld:  transcript Verlag, 2021, pp. 155–168.","chicago":"Bauer, Anna, Marc Sacher, Sebastian Habig, and Sabine Fechner. “Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften.” In <i>Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre</i>, edited by Iris Neiske, Judith Osthushenrich, Niclas Schaper, Ulrike Trier, and Nerea Vöing, 3:155–68. Hochschulbildung: Lehre und Forschung. Bielefeld:  transcript Verlag, 2021. <a href=\"https://doi.org/DOI: 10.14361/9783839456903-011\">https://doi.org/DOI: 10.14361/9783839456903-011</a>.","ama":"Bauer A, Sacher M, Habig S, Fechner S. Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften. In: Neiske I, Osthushenrich J, Schaper N, Trier U, Vöing N, eds. <i>Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre</i>. Vol 3. Hochschulbildung: Lehre und Forschung.  transcript Verlag; 2021:155-168. doi:<a href=\"https://doi.org/DOI: 10.14361/9783839456903-011\">DOI: 10.14361/9783839456903-011</a>","apa":"Bauer, A., Sacher, M., Habig, S., &#38; Fechner, S. (2021). Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften. In I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, &#38; N. Vöing (Eds.), <i>Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre</i> (Vol. 3, pp. 155–168).  transcript Verlag. <a href=\"https://doi.org/DOI: 10.14361/9783839456903-011\">https://doi.org/DOI: 10.14361/9783839456903-011</a>","short":"A. Bauer, M. Sacher, S. Habig, S. Fechner, in: I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, N. Vöing (Eds.), Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre,  transcript Verlag, Bielefeld, 2021, pp. 155–168.","bibtex":"@inbook{Bauer_Sacher_Habig_Fechner_2021, place={Bielefeld}, series={Hochschulbildung: Lehre und Forschung}, title={Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften}, volume={3}, DOI={<a href=\"https://doi.org/DOI: 10.14361/9783839456903-011\">DOI: 10.14361/9783839456903-011</a>}, booktitle={Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre}, publisher={ transcript Verlag}, author={Bauer, Anna and Sacher, Marc and Habig, Sebastian and Fechner, Sabine}, editor={Neiske, Iris and Osthushenrich, Judith and Schaper, Niclas and Trier, Ulrike and Vöing, Nerea}, year={2021}, pages={155–168}, collection={Hochschulbildung: Lehre und Forschung} }","mla":"Bauer, Anna, et al. “Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften.” <i>Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre</i>, edited by Iris Neiske et al., vol. 3,  transcript Verlag, 2021, pp. 155–68, doi:<a href=\"https://doi.org/DOI: 10.14361/9783839456903-011\">DOI: 10.14361/9783839456903-011</a>."},"date_updated":"2025-12-03T21:39:53Z","oa":"1","volume":3,"author":[{"full_name":"Bauer, Anna","id":"24755","orcid":"0000-0002-1742-3099","last_name":"Bauer","first_name":"Anna"},{"orcid":"0000-0001-6217-336X","last_name":"Sacher","full_name":"Sacher, Marc","id":"26883","first_name":"Marc"},{"first_name":"Sebastian","full_name":"Habig, Sebastian","last_name":"Habig"},{"full_name":"Fechner, Sabine","id":"54823","orcid":"0000-0001-5645-5870","last_name":"Fechner","first_name":"Sabine"}],"doi":"DOI: 10.14361/9783839456903-011","main_file_link":[{"open_access":"1","url":"https://www.transcript-verlag.de/978-3-8376-5690-9/hochschule-auf-abstand/"}],"type":"book_chapter","editor":[{"first_name":"Iris","last_name":"Neiske","full_name":"Neiske, Iris"},{"first_name":"Judith","full_name":"Osthushenrich, Judith","last_name":"Osthushenrich"},{"first_name":"Niclas","full_name":"Schaper, Niclas","last_name":"Schaper"},{"first_name":"Ulrike","full_name":"Trier, Ulrike","last_name":"Trier"},{"last_name":"Vöing","full_name":"Vöing, Nerea","first_name":"Nerea"}],"status":"public","_id":"24935","department":[{"_id":"576"},{"_id":"299"},{"_id":"386"}],"series_title":"Hochschulbildung: Lehre und Forschung","user_id":"54823","quality_controlled":"1","year":"2021","publisher":" transcript Verlag","date_created":"2021-09-23T12:12:49Z","title":"Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften","publication":"Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre","language":[{"iso":"ger"}]},{"page":"2477-2491","intvolume":"        60","citation":{"chicago":"Schnaars, Kathleen, Masashi Kaneko, and Kiyoshi Fujisawa. “Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex.” <i>Inorganic Chemistry</i> 60, no. 4 (2021): 2477–91. <a href=\"https://doi.org/10.1021/acs.inorgchem.0c03405\">https://doi.org/10.1021/acs.inorgchem.0c03405</a>.","ieee":"K. Schnaars, M. Kaneko, and K. Fujisawa, “Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex,” <i>Inorganic Chemistry</i>, vol. 60, no. 4, pp. 2477–2491, 2021, doi: <a href=\"https://doi.org/10.1021/acs.inorgchem.0c03405\">10.1021/acs.inorgchem.0c03405</a>.","ama":"Schnaars K, Kaneko M, Fujisawa K. Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex. <i>Inorganic Chemistry</i>. 2021;60(4):2477-2491. doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.0c03405\">10.1021/acs.inorgchem.0c03405</a>","apa":"Schnaars, K., Kaneko, M., &#38; Fujisawa, K. (2021). Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex. <i>Inorganic Chemistry</i>, <i>60</i>(4), 2477–2491. <a href=\"https://doi.org/10.1021/acs.inorgchem.0c03405\">https://doi.org/10.1021/acs.inorgchem.0c03405</a>","bibtex":"@article{Schnaars_Kaneko_Fujisawa_2021, title={Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex}, volume={60}, DOI={<a href=\"https://doi.org/10.1021/acs.inorgchem.0c03405\">10.1021/acs.inorgchem.0c03405</a>}, number={4}, journal={Inorganic Chemistry}, publisher={American Chemical Society (ACS)}, author={Schnaars, Kathleen and Kaneko, Masashi and Fujisawa, Kiyoshi}, year={2021}, pages={2477–2491} }","short":"K. Schnaars, M. Kaneko, K. Fujisawa, Inorganic Chemistry 60 (2021) 2477–2491.","mla":"Schnaars, Kathleen, et al. “Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex.” <i>Inorganic Chemistry</i>, vol. 60, no. 4, American Chemical Society (ACS), 2021, pp. 2477–91, doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.0c03405\">10.1021/acs.inorgchem.0c03405</a>."},"publication_identifier":{"issn":["0020-1669","1520-510X"]},"publication_status":"published","doi":"10.1021/acs.inorgchem.0c03405","date_updated":"2025-12-04T12:19:31Z","volume":60,"author":[{"first_name":"Kathleen","last_name":"Schnaars","full_name":"Schnaars, Kathleen","id":"117735"},{"first_name":"Masashi","full_name":"Kaneko, Masashi","last_name":"Kaneko"},{"last_name":"Fujisawa","full_name":"Fujisawa, Kiyoshi","first_name":"Kiyoshi"}],"status":"public","type":"journal_article","extern":"1","_id":"62851","department":[{"_id":"985"}],"user_id":"117735","year":"2021","quality_controlled":"1","issue":"4","title":"Effect of Oxygen-Donor Charge on Adjacent Nitrogen-Donor Interactions in Eu<sup>3+</sup> Complexes of Mixed N,O-Donor Ligands Demonstrated on a 10-Fold [Eu(TPAMEN)]<sup>3+</sup> Chelate Complex","publisher":"American Chemical Society (ACS)","date_created":"2025-12-04T12:06:36Z","abstract":[{"text":"To reduce high-level radiotoxic waste generated by nuclear power plants, highly selective separation agents for minor actinides are mandatory. The mixed N,O-donor ligand N,N,N′,N′-tetrakis[(6-carboxypyridin-2-yl)methyl]ethylenediamine (H4TPAEN; 1) has shown good performance as a masking agent in Am3+/Eu3+ separation studies. Adjustments on the pyridyl backbone to raise the hydrophilicity led to a decrease in selectivity and a decrease in M3+–Nam interactions. An enhanced basicity of the pyridyl N-donors was given as a cause. In this work, we examine whether a decrease in O-donor basicity can promote the M3+–Nam interactions. Therefore, we replace the deprotonated “charged” carboxylic acid groups of TPAEN4– by neutral amide groups and introduce N,N,N′,N’-tetrakis[(6-N″,N′′-diethylcarbamoylpyridin-2-yl)methyl]ethylenediamine (TPAMEN; 2) as a new ligand. TPAMEN was crystallized with Eu(OTf)3 and Eu(NO3)3·6H2O to form positively charged 1:1 [Eu(TPAMEN)]3+ complexes in the solid state. Alterations in the M–O/N bond distances are compared to [Eu(TPAEN)]− and investigated by DFT calculations to expose the differences in charge/energy density distributions at europium(III) and the donor functionalities of the TPAEN4– and TPAMEN. On the basis of estimations of the bond orders, atomic charges spin populations, and density of states in the Eu and potential Am and Cm complexes, the specific contributions of the donor–metal interaction are analyzed. The prediction of complex formation energy differences for the [M(TPAEN)]− and [M(TPAMEN)]3+ (M3+ = Eu3+, Am3+) complexes provide an outlook on the potential performance of TPAMEN in Am3+/Eu3+ separation.","lang":"eng"}],"publication":"Inorganic Chemistry","language":[{"iso":"eng"}]},{"author":[{"first_name":"Pascal","id":"44191","full_name":"Pollmeier, Pascal","last_name":"Pollmeier"}],"date_created":"2025-12-08T09:48:49Z","date_updated":"2025-12-08T09:48:52Z","conference":{"location":"digital","name":"Summerschool of The European Science Education Research Association"},"title":"Epistemological enhancement through confrontation with anomalous data","citation":{"ama":"Pollmeier P. Epistemological enhancement through confrontation with anomalous data. In: ; 2021.","ieee":"P. Pollmeier, “Epistemological enhancement through confrontation with anomalous data,” presented at the Summerschool of The European Science Education Research Association, digital, 2021.","chicago":"Pollmeier, Pascal. “Epistemological Enhancement through Confrontation with Anomalous Data,” 2021.","apa":"Pollmeier, P. (2021). <i>Epistemological enhancement through confrontation with anomalous data</i>. Summerschool of The European Science Education Research Association, digital.","mla":"Pollmeier, Pascal. <i>Epistemological Enhancement through Confrontation with Anomalous Data</i>. 2021.","short":"P. Pollmeier, in: 2021.","bibtex":"@inproceedings{Pollmeier_2021, title={Epistemological enhancement through confrontation with anomalous data}, author={Pollmeier, Pascal}, year={2021} }"},"year":"2021","user_id":"44191","department":[{"_id":"386"}],"_id":"62965","language":[{"iso":"eng"}],"keyword":["Epistemologie","Mentale Modelle","Daten","Auswertung","Experiment"],"type":"conference_abstract","status":"public"},{"keyword":["Epistemologie","Daten","anomale Daten"],"language":[{"iso":"eng"}],"_id":"62960","department":[{"_id":"386"}],"user_id":"44191","status":"public","type":"conference_abstract","title":"Epistemological enhancement t hrough confrontation with anomalous data","conference":{"name":"Summerschool of The European Science Education Research Association","location":"digital"},"date_updated":"2025-12-08T09:42:23Z","date_created":"2025-12-08T09:42:20Z","author":[{"id":"44191","full_name":"Pollmeier, Pascal","last_name":"Pollmeier","first_name":"Pascal"}],"year":"2021","citation":{"ieee":"P. Pollmeier, “Epistemological enhancement t hrough confrontation with anomalous data,” presented at the Summerschool of The European Science Education Research Association, digital, 2021.","chicago":"Pollmeier, Pascal. “Epistemological Enhancement t Hrough Confrontation with Anomalous Data,” 2021.","ama":"Pollmeier P. Epistemological enhancement t hrough confrontation with anomalous data. In: ; 2021.","mla":"Pollmeier, Pascal. <i>Epistemological Enhancement t Hrough Confrontation with Anomalous Data</i>. 2021.","bibtex":"@inproceedings{Pollmeier_2021, title={Epistemological enhancement t hrough confrontation with anomalous data}, author={Pollmeier, Pascal}, year={2021} }","short":"P. Pollmeier, in: 2021.","apa":"Pollmeier, P. (2021). <i>Epistemological enhancement t hrough confrontation with anomalous data</i>. Summerschool of The European Science Education Research Association, digital."}},{"citation":{"ieee":"H. Peeters, S. Habig, and S. Fechner, “Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung,” in <i>Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?</i>, 2021, vol. 41, pp. 613–616.","chicago":"Peeters, Hendrik, Sebastian Habig, and Sabine Fechner. “Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung.” In <i>Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?</i>, edited by Sebastian Habig, 41:613–16, 2021.","ama":"Peeters H, Habig S, Fechner S. Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung. In: Habig S, ed. <i>Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?</i>. Vol 41. ; 2021:613-616.","apa":"Peeters, H., Habig, S., &#38; Fechner, S. (2021). Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung. In S. Habig (Ed.), <i>Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?</i> (Vol. 41, pp. 613–616).","short":"H. Peeters, S. Habig, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 613–616.","mla":"Peeters, Hendrik, et al. “Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung.” <i>Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?</i>, edited by Sebastian Habig, vol. 41, 2021, pp. 613–16.","bibtex":"@inproceedings{Peeters_Habig_Fechner_2021, title={Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung}, volume={41}, booktitle={Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?}, author={Peeters, Hendrik and Habig, Sebastian and Fechner, Sabine}, editor={Habig, Sebastian}, year={2021}, pages={613–616} }"},"intvolume":"        41","page":"613-616","year":"2021","main_file_link":[{"url":"https://www.gdcp-ev.de/wp-content/tb2021/TB2021_613_Peeters.pdf","open_access":"1"}],"title":"Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung","author":[{"first_name":"Hendrik","full_name":"Peeters, Hendrik","id":"49942","orcid":"https://orcid.org/ 0000-0002-7143-3781","last_name":"Peeters"},{"first_name":"Sebastian","full_name":"Habig, Sebastian","last_name":"Habig"},{"id":"54823","full_name":"Fechner, Sabine","orcid":"0000-0001-5645-5870","last_name":"Fechner","first_name":"Sabine"}],"date_created":"2021-09-03T12:52:28Z","volume":41,"oa":"1","date_updated":"2025-12-11T13:39:13Z","status":"public","editor":[{"full_name":"Habig, Sebastian","last_name":"Habig","first_name":"Sebastian"}],"type":"conference","publication":"Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?","language":[{"iso":"ger"}],"keyword":["digitale Medien"],"user_id":"54823","department":[{"_id":"386"},{"_id":"33"}],"_id":"23758"},{"date_updated":"2026-03-11T10:23:22Z","publisher":"Wiley","date_created":"2026-03-11T10:23:15Z","author":[{"id":"53339","full_name":"Paradies, Jan","last_name":"Paradies","orcid":"0000-0002-3698-668X","first_name":"Jan"},{"first_name":"Jennifer","last_name":"Andexer","full_name":"Andexer, Jennifer"},{"full_name":"Beifuss, Uwe","last_name":"Beifuss","first_name":"Uwe"},{"first_name":"Florian","last_name":"Beuerle","full_name":"Beuerle, Florian"},{"first_name":"Malte","last_name":"Brasholz","full_name":"Brasholz, Malte"},{"last_name":"Breinbauer","full_name":"Breinbauer, Rolf","first_name":"Rolf"},{"first_name":"Martin","full_name":"Ernst, Martin","last_name":"Ernst"},{"full_name":"Ganardi, Ruth","last_name":"Ganardi","first_name":"Ruth"},{"first_name":"Tobias A. M.","last_name":"Gulder","full_name":"Gulder, Tobias A. M."},{"first_name":"Wolfgang","full_name":"Hüttel, Wolfgang","last_name":"Hüttel"},{"last_name":"Kath‐Schorr","full_name":"Kath‐Schorr, Stephanie","first_name":"Stephanie"},{"first_name":"Karsten","full_name":"Körber, Karsten","last_name":"Körber"},{"full_name":"Kordes, Markus","last_name":"Kordes","first_name":"Markus"},{"last_name":"Lehmann","full_name":"Lehmann, Matthias","first_name":"Matthias"},{"full_name":"Lindel, Thomas","last_name":"Lindel","first_name":"Thomas"},{"last_name":"Luy","full_name":"Luy, Burkhard","first_name":"Burkhard"},{"first_name":"Christian","full_name":"Mück‐Lichtenfeld, Christian","last_name":"Mück‐Lichtenfeld"},{"last_name":"Muhle‐Goll","full_name":"Muhle‐Goll, Claudia","first_name":"Claudia"},{"last_name":"Niemeyer","full_name":"Niemeyer, Jochen","first_name":"Jochen"},{"full_name":"Pfau, Roland","last_name":"Pfau","first_name":"Roland"},{"first_name":"Jörg","full_name":"Pietruszka, Jörg","last_name":"Pietruszka"},{"full_name":"Röckl, Johannes L.","last_name":"Röckl","first_name":"Johannes L."},{"first_name":"Norbert","full_name":"Schaschke, Norbert","last_name":"Schaschke"},{"last_name":"Senge","full_name":"Senge, Mathias O.","first_name":"Mathias O."},{"first_name":"Bernd F.","last_name":"Straub","full_name":"Straub, Bernd F."},{"last_name":"Waldvogel","full_name":"Waldvogel, Siegfried R.","first_name":"Siegfried R."},{"first_name":"Thomas","last_name":"Werner","full_name":"Werner, Thomas"},{"first_name":"Daniel B.","full_name":"Werz, Daniel B.","last_name":"Werz"},{"last_name":"Winter","full_name":"Winter, Christian","first_name":"Christian"}],"volume":69,"title":"Organische Chemie","doi":"10.1002/nadc.20214105947","publication_status":"published","publication_identifier":{"issn":["1439-9598","1868-0054"]},"issue":"3","year":"2021","citation":{"apa":"Paradies, J., Andexer, J., Beifuss, U., Beuerle, F., Brasholz, M., Breinbauer, R., Ernst, M., Ganardi, R., Gulder, T. A. M., Hüttel, W., Kath‐Schorr, S., Körber, K., Kordes, M., Lehmann, M., Lindel, T., Luy, B., Mück‐Lichtenfeld, C., Muhle‐Goll, C., Niemeyer, J., … Winter, C. (2021). Organische Chemie. <i>Nachrichten Aus Der Chemie</i>, <i>69</i>(3), 38–68. <a href=\"https://doi.org/10.1002/nadc.20214105947\">https://doi.org/10.1002/nadc.20214105947</a>","mla":"Paradies, Jan, et al. “Organische Chemie.” <i>Nachrichten Aus Der Chemie</i>, vol. 69, no. 3, Wiley, 2021, pp. 38–68, doi:<a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>.","short":"J. Paradies, J. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, R. Ganardi, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle‐Goll, J. Niemeyer, R. Pfau, J. Pietruszka, J.L. Röckl, N. Schaschke, M.O. Senge, B.F. Straub, S.R. Waldvogel, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 69 (2021) 38–68.","bibtex":"@article{Paradies_Andexer_Beifuss_Beuerle_Brasholz_Breinbauer_Ernst_Ganardi_Gulder_Hüttel_et al._2021, title={Organische Chemie}, volume={69}, DOI={<a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>}, number={3}, journal={Nachrichten aus der Chemie}, publisher={Wiley}, author={Paradies, Jan and Andexer, Jennifer and Beifuss, Uwe and Beuerle, Florian and Brasholz, Malte and Breinbauer, Rolf and Ernst, Martin and Ganardi, Ruth and Gulder, Tobias A. M. and Hüttel, Wolfgang and et al.}, year={2021}, pages={38–68} }","chicago":"Paradies, Jan, Jennifer Andexer, Uwe Beifuss, Florian Beuerle, Malte Brasholz, Rolf Breinbauer, Martin Ernst, et al. “Organische Chemie.” <i>Nachrichten Aus Der Chemie</i> 69, no. 3 (2021): 38–68. <a href=\"https://doi.org/10.1002/nadc.20214105947\">https://doi.org/10.1002/nadc.20214105947</a>.","ieee":"J. Paradies <i>et al.</i>, “Organische Chemie,” <i>Nachrichten aus der Chemie</i>, vol. 69, no. 3, pp. 38–68, 2021, doi: <a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>.","ama":"Paradies J, Andexer J, Beifuss U, et al. Organische Chemie. <i>Nachrichten aus der Chemie</i>. 2021;69(3):38-68. doi:<a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>"},"page":"38-68","intvolume":"        69","_id":"64895","user_id":"53339","department":[{"_id":"2"},{"_id":"389"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Nachrichten aus der Chemie","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>Elektrochemische Synthese – Naturstoffe und deren Synthese – photokatalytische Redoxchemie – Farbstoffe – Nanostrukturen – Wirkstoffe – asymmetrische Katalyse und mehr.</jats:p>"}],"status":"public"},{"_id":"25301","user_id":"32","department":[{"_id":"321"},{"_id":"301"}],"article_number":"106786","language":[{"iso":"eng"}],"type":"journal_article","publication":"Polymer Testing","status":"public","date_updated":"2022-01-06T06:57:00Z","date_created":"2021-10-04T13:18:54Z","author":[{"last_name":"Scherer","full_name":"Scherer, Beate","first_name":"Beate"},{"full_name":"Kottenstedde, Ingo Leonard","last_name":"Kottenstedde","first_name":"Ingo Leonard"},{"last_name":"Bremser","full_name":"Bremser, Wolfgang","id":"32","first_name":"Wolfgang"},{"first_name":"Frank-Michael","full_name":"Matysik, Frank-Michael","last_name":"Matysik"}],"title":"Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations","doi":"10.1016/j.polymertesting.2020.106786","publication_status":"published","publication_identifier":{"issn":["0142-9418"]},"year":"2020","citation":{"ama":"Scherer B, Kottenstedde IL, Bremser W, Matysik F-M. Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations. <i>Polymer Testing</i>. Published online 2020. doi:<a href=\"https://doi.org/10.1016/j.polymertesting.2020.106786\">10.1016/j.polymertesting.2020.106786</a>","chicago":"Scherer, Beate, Ingo Leonard Kottenstedde, Wolfgang Bremser, and Frank-Michael Matysik. “Analytical Characterization of Polyamide 11 Used in the Context of Selective Laser Sintering: Physico-Chemical Correlations.” <i>Polymer Testing</i>, 2020. <a href=\"https://doi.org/10.1016/j.polymertesting.2020.106786\">https://doi.org/10.1016/j.polymertesting.2020.106786</a>.","ieee":"B. Scherer, I. L. Kottenstedde, W. Bremser, and F.-M. Matysik, “Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations,” <i>Polymer Testing</i>, Art. no. 106786, 2020, doi: <a href=\"https://doi.org/10.1016/j.polymertesting.2020.106786\">10.1016/j.polymertesting.2020.106786</a>.","apa":"Scherer, B., Kottenstedde, I. L., Bremser, W., &#38; Matysik, F.-M. (2020). Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations. <i>Polymer Testing</i>, Article 106786. <a href=\"https://doi.org/10.1016/j.polymertesting.2020.106786\">https://doi.org/10.1016/j.polymertesting.2020.106786</a>","bibtex":"@article{Scherer_Kottenstedde_Bremser_Matysik_2020, title={Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations}, DOI={<a href=\"https://doi.org/10.1016/j.polymertesting.2020.106786\">10.1016/j.polymertesting.2020.106786</a>}, number={106786}, journal={Polymer Testing}, author={Scherer, Beate and Kottenstedde, Ingo Leonard and Bremser, Wolfgang and Matysik, Frank-Michael}, year={2020} }","mla":"Scherer, Beate, et al. “Analytical Characterization of Polyamide 11 Used in the Context of Selective Laser Sintering: Physico-Chemical Correlations.” <i>Polymer Testing</i>, 106786, 2020, doi:<a href=\"https://doi.org/10.1016/j.polymertesting.2020.106786\">10.1016/j.polymertesting.2020.106786</a>.","short":"B. Scherer, I.L. Kottenstedde, W. Bremser, F.-M. Matysik, Polymer Testing (2020)."}},{"doi":"10.3390/molecules25173939","title":"“On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface","volume":25,"date_created":"2020-09-25T08:34:34Z","author":[{"full_name":"Ojha, Deepak","last_name":"Ojha","first_name":"Deepak"},{"full_name":"Kühne, Thomas D.","last_name":"Kühne","first_name":"Thomas D."}],"date_updated":"2022-01-06T06:54:09Z","intvolume":"        25","citation":{"chicago":"Ojha, Deepak, and Thomas D. Kühne. “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.” <i>Molecules</i> 25 (2020). <a href=\"https://doi.org/10.3390/molecules25173939\">https://doi.org/10.3390/molecules25173939</a>.","ieee":"D. Ojha and T. D. Kühne, “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface,” <i>Molecules</i>, vol. 25, 2020.","ama":"Ojha D, Kühne TD. “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. <i>Molecules</i>. 2020;25. doi:<a href=\"https://doi.org/10.3390/molecules25173939\">10.3390/molecules25173939</a>","short":"D. Ojha, T.D. Kühne, Molecules 25 (2020).","bibtex":"@article{Ojha_Kühne_2020, title={“On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface}, volume={25}, DOI={<a href=\"https://doi.org/10.3390/molecules25173939\">10.3390/molecules25173939</a>}, number={3939}, journal={Molecules}, author={Ojha, Deepak and Kühne, Thomas D.}, year={2020} }","mla":"Ojha, Deepak, and Thomas D. Kühne. “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.” <i>Molecules</i>, vol. 25, 3939, 2020, doi:<a href=\"https://doi.org/10.3390/molecules25173939\">10.3390/molecules25173939</a>.","apa":"Ojha, D., &#38; Kühne, T. D. (2020). “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. <i>Molecules</i>, <i>25</i>. <a href=\"https://doi.org/10.3390/molecules25173939\">https://doi.org/10.3390/molecules25173939</a>"},"year":"2020","publication_identifier":{"issn":["1420-3049"]},"publication_status":"published","language":[{"iso":"eng"}],"article_number":"3939","department":[{"_id":"304"}],"user_id":"71692","_id":"19679","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","abstract":[{"lang":"eng","text":"<jats:p>In the present work, we provide an electronic structure based method for the “on-the-fly” determination of vibrational sum frequency generation (v-SFG) spectra. The predictive power of this scheme is demonstrated at the air-water interface. While the instantaneous fluctuations in dipole moment are obtained using the maximally localized Wannier functions, the fluctuations in polarizability are approximated to be proportional to the second moment of Wannier functions. The spectrum henceforth obtained captures the signatures of hydrogen bond stretching, bending, as well as low-frequency librational modes.</jats:p>"}],"publication":"Molecules","type":"journal_article"},{"status":"public","abstract":[{"lang":"eng","text":"This is the second part of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures, aiming at a predictive first-principles platform that combines ab-initio molecular dynamics (AIMD) and a finite-temperature Kubo-formula with dissipation for thermally disordered crystalline phases. The latter are encoded in an ergodic dynamical system (Ω,G,dP), where Ω is the configuration space of the atomic degrees of freedom, G is the space group acting on Ω and dP is the ergodic Gibbs measure relative to the G-action. We first demonstrate how to pass from the continuum Kohn–Sham theory to a discrete atomic-orbitals based formalism without breaking the covariance of the physical observables w.r.t. (Ω,G,dP). Then we show how to implement the Kubo-formula, investigate its self-averaging property and derive an optimal finite-volume approximation for it. We also describe a numerical innovation that made possible AIMD simulations with longer orbits and elaborate on the details of our simulations. Lastly, we present numerical results on the transport coefficients of crystal silicon at different temperatures."}],"type":"journal_article","publication":"Annals of Physics","language":[{"iso":"eng"}],"user_id":"71692","department":[{"_id":"304"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"19680","citation":{"ama":"Kühne T, Heske JJ, Prodan E. Disordered crystals from first principles II: Transport coefficients. <i>Annals of Physics</i>. 2020;421:168290. doi:<a href=\"https://doi.org/10.1016/j.aop.2020.168290\">https://doi.org/10.1016/j.aop.2020.168290</a>","ieee":"T. Kühne, J. J. Heske, and E. Prodan, “Disordered crystals from first principles II: Transport coefficients,” <i>Annals of Physics</i>, vol. 421, p. 168290, 2020.","chicago":"Kühne, Thomas, Julian Joachim Heske, and Emil Prodan. “Disordered Crystals from First Principles II: Transport Coefficients.” <i>Annals of Physics</i> 421 (2020): 168290. <a href=\"https://doi.org/10.1016/j.aop.2020.168290\">https://doi.org/10.1016/j.aop.2020.168290</a>.","apa":"Kühne, T., Heske, J. J., &#38; Prodan, E. (2020). Disordered crystals from first principles II: Transport coefficients. <i>Annals of Physics</i>, <i>421</i>, 168290. <a href=\"https://doi.org/10.1016/j.aop.2020.168290\">https://doi.org/10.1016/j.aop.2020.168290</a>","short":"T. Kühne, J.J. Heske, E. Prodan, Annals of Physics 421 (2020) 168290.","bibtex":"@article{Kühne_Heske_Prodan_2020, title={Disordered crystals from first principles II: Transport coefficients}, volume={421}, DOI={<a href=\"https://doi.org/10.1016/j.aop.2020.168290\">https://doi.org/10.1016/j.aop.2020.168290</a>}, journal={Annals of Physics}, author={Kühne, Thomas and Heske, Julian Joachim and Prodan, Emil}, year={2020}, pages={168290} }","mla":"Kühne, Thomas, et al. “Disordered Crystals from First Principles II: Transport Coefficients.” <i>Annals of Physics</i>, vol. 421, 2020, p. 168290, doi:<a href=\"https://doi.org/10.1016/j.aop.2020.168290\">https://doi.org/10.1016/j.aop.2020.168290</a>."},"page":"168290","intvolume":"       421","year":"2020","publication_identifier":{"issn":["0003-4916"]},"doi":"https://doi.org/10.1016/j.aop.2020.168290","title":"Disordered crystals from first principles II: Transport coefficients","date_created":"2020-09-25T08:38:00Z","author":[{"first_name":"Thomas","last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas"},{"full_name":"Heske, Julian Joachim","id":"53238","last_name":"Heske","first_name":"Julian Joachim"},{"full_name":"Prodan, Emil","last_name":"Prodan","first_name":"Emil"}],"volume":421,"date_updated":"2022-01-06T06:54:10Z"}]