[{"doi":"10.1016/j.indag.2017.04.004","language":[{"iso":"eng"}],"article_type":"original","intvolume":"        28","date_updated":"2026-02-27T07:08:20Z","publication_identifier":{"issn":["0019-3577"]},"author":[{"id":"178","full_name":"Glöckner, Helge","last_name":"Glöckner","first_name":"Helge"},{"full_name":"Neeb, Karl-Hermann","first_name":"Karl-Hermann","last_name":"Neeb"}],"year":"2017","title":"Diffeomorphism groups of compact convex sets","department":[{"_id":"10"},{"_id":"87"},{"_id":"93"}],"type":"journal_article","keyword":["58D05","22E55","52A20"],"date_created":"2026-02-26T07:23:43Z","publication":"Indagationes Mathematicae","issue":"4","volume":28,"user_id":"178","_id":"64635","page":"760–783","status":"public","quality_controlled":"1","citation":{"mla":"Glöckner, Helge, and Karl-Hermann Neeb. “Diffeomorphism Groups of Compact Convex Sets.” <i>Indagationes Mathematicae</i>, vol. 28, no. 4, 2017, pp. 760–783, doi:<a href=\"https://doi.org/10.1016/j.indag.2017.04.004\">10.1016/j.indag.2017.04.004</a>.","ama":"Glöckner H, Neeb K-H. Diffeomorphism groups of compact convex sets. <i>Indagationes Mathematicae</i>. 2017;28(4):760–783. doi:<a href=\"https://doi.org/10.1016/j.indag.2017.04.004\">10.1016/j.indag.2017.04.004</a>","bibtex":"@article{Glöckner_Neeb_2017, title={Diffeomorphism groups of compact convex sets}, volume={28}, DOI={<a href=\"https://doi.org/10.1016/j.indag.2017.04.004\">10.1016/j.indag.2017.04.004</a>}, number={4}, journal={Indagationes Mathematicae}, author={Glöckner, Helge and Neeb, Karl-Hermann}, year={2017}, pages={760–783} }","apa":"Glöckner, H., &#38; Neeb, K.-H. (2017). Diffeomorphism groups of compact convex sets. <i>Indagationes Mathematicae</i>, <i>28</i>(4), 760–783. <a href=\"https://doi.org/10.1016/j.indag.2017.04.004\">https://doi.org/10.1016/j.indag.2017.04.004</a>","ieee":"H. Glöckner and K.-H. Neeb, “Diffeomorphism groups of compact convex sets,” <i>Indagationes Mathematicae</i>, vol. 28, no. 4, pp. 760–783, 2017, doi: <a href=\"https://doi.org/10.1016/j.indag.2017.04.004\">10.1016/j.indag.2017.04.004</a>.","chicago":"Glöckner, Helge, and Karl-Hermann Neeb. “Diffeomorphism Groups of Compact Convex Sets.” <i>Indagationes Mathematicae</i> 28, no. 4 (2017): 760–783. <a href=\"https://doi.org/10.1016/j.indag.2017.04.004\">https://doi.org/10.1016/j.indag.2017.04.004</a>.","short":"H. Glöckner, K.-H. Neeb, Indagationes Mathematicae 28 (2017) 760–783."}},{"date_updated":"2026-02-27T08:32:24Z","intvolume":"        20","article_type":"original","title":"Expansive automorphisms of totally disconnected, locally compact groups","year":"2017","author":[{"id":"178","first_name":"Helge","last_name":"Glöckner","full_name":"Glöckner, Helge"},{"last_name":"Raja","first_name":"C. R. E.","full_name":"Raja, C. R. E."}],"publication_identifier":{"issn":["1433-5883"]},"doi":"10.1515/jgth-2016-0051","language":[{"iso":"eng"}],"publication":"Journal of Group Theory","issue":"3","type":"journal_article","keyword":["22D05","22A10","22D40"],"department":[{"_id":"10"},{"_id":"87"},{"_id":"93"}],"date_created":"2026-02-26T07:27:23Z","status":"public","user_id":"178","volume":20,"page":"589–619","_id":"64638","quality_controlled":"1","citation":{"short":"H. Glöckner, C.R.E. Raja, Journal of Group Theory 20 (2017) 589–619.","chicago":"Glöckner, Helge, and C. R. E. Raja. “Expansive Automorphisms of Totally Disconnected, Locally Compact Groups.” <i>Journal of Group Theory</i> 20, no. 3 (2017): 589–619. <a href=\"https://doi.org/10.1515/jgth-2016-0051\">https://doi.org/10.1515/jgth-2016-0051</a>.","ieee":"H. Glöckner and C. R. E. Raja, “Expansive automorphisms of totally disconnected, locally compact groups,” <i>Journal of Group Theory</i>, vol. 20, no. 3, pp. 589–619, 2017, doi: <a href=\"https://doi.org/10.1515/jgth-2016-0051\">10.1515/jgth-2016-0051</a>.","apa":"Glöckner, H., &#38; Raja, C. R. E. (2017). Expansive automorphisms of totally disconnected, locally compact groups. <i>Journal of Group Theory</i>, <i>20</i>(3), 589–619. <a href=\"https://doi.org/10.1515/jgth-2016-0051\">https://doi.org/10.1515/jgth-2016-0051</a>","bibtex":"@article{Glöckner_Raja_2017, title={Expansive automorphisms of totally disconnected, locally compact groups}, volume={20}, DOI={<a href=\"https://doi.org/10.1515/jgth-2016-0051\">10.1515/jgth-2016-0051</a>}, number={3}, journal={Journal of Group Theory}, author={Glöckner, Helge and Raja, C. R. E.}, year={2017}, pages={589–619} }","ama":"Glöckner H, Raja CRE. Expansive automorphisms of totally disconnected, locally compact groups. <i>Journal of Group Theory</i>. 2017;20(3):589–619. doi:<a href=\"https://doi.org/10.1515/jgth-2016-0051\">10.1515/jgth-2016-0051</a>","mla":"Glöckner, Helge, and C. R. E. Raja. “Expansive Automorphisms of Totally Disconnected, Locally Compact Groups.” <i>Journal of Group Theory</i>, vol. 20, no. 3, 2017, pp. 589–619, doi:<a href=\"https://doi.org/10.1515/jgth-2016-0051\">10.1515/jgth-2016-0051</a>."}},{"year":"2017","title":"Elementary p-adic Lie groups have finite construction rank","author":[{"full_name":"Glöckner, Helge","last_name":"Glöckner","first_name":"Helge","id":"178"}],"publication_identifier":{"issn":["0002-9939"]},"date_updated":"2026-02-27T08:32:54Z","article_type":"original","intvolume":"       145","language":[{"iso":"eng"}],"doi":"10.1090/proc/13637","issue":"11","publication":"Proceedings of the American Mathematical Society","date_created":"2026-02-26T07:25:14Z","type":"journal_article","keyword":["22E20"],"department":[{"_id":"10"},{"_id":"87"},{"_id":"93"}],"status":"public","page":"5007–5021","_id":"64636","user_id":"178","volume":145,"citation":{"mla":"Glöckner, Helge. “Elementary P-Adic Lie Groups Have Finite Construction Rank.” <i>Proceedings of the American Mathematical Society</i>, vol. 145, no. 11, 2017, pp. 5007–5021, doi:<a href=\"https://doi.org/10.1090/proc/13637\">10.1090/proc/13637</a>.","apa":"Glöckner, H. 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Elementary p-adic Lie groups have finite construction rank. <i>Proceedings of the American Mathematical Society</i>. 2017;145(11):5007–5021. doi:<a href=\"https://doi.org/10.1090/proc/13637\">10.1090/proc/13637</a>","bibtex":"@article{Glöckner_2017, title={Elementary p-adic Lie groups have finite construction rank}, volume={145}, DOI={<a href=\"https://doi.org/10.1090/proc/13637\">10.1090/proc/13637</a>}, number={11}, journal={Proceedings of the American Mathematical Society}, author={Glöckner, Helge}, year={2017}, pages={5007–5021} }"},"quality_controlled":"1"},{"department":[{"_id":"10"},{"_id":"87"},{"_id":"93"}],"type":"journal_article","keyword":["22E65","22A05","46A13","46M40","58D05"],"date_created":"2026-02-26T07:21:22Z","quality_controlled":"1","citation":{"bibtex":"@article{Glöckner_2017, title={Completeness of locally k_ω-groups and related infinite-dimensional Lie groups}, volume={228}, DOI={<a href=\"https://doi.org/10.1016/j.topol.2017.05.007\">10.1016/j.topol.2017.05.007</a>}, journal={Topology and its Applications}, author={Glöckner, Helge}, year={2017}, pages={277–284} }","ama":"Glöckner H. Completeness of locally k_ω-groups and related infinite-dimensional Lie groups. <i>Topology and its Applications</i>. 2017;228:277–284. doi:<a href=\"https://doi.org/10.1016/j.topol.2017.05.007\">10.1016/j.topol.2017.05.007</a>","mla":"Glöckner, Helge. “Completeness of Locally K_ω-Groups and Related Infinite-Dimensional Lie Groups.” <i>Topology and Its Applications</i>, vol. 228, 2017, pp. 277–284, doi:<a href=\"https://doi.org/10.1016/j.topol.2017.05.007\">10.1016/j.topol.2017.05.007</a>.","short":"H. Glöckner, Topology and Its Applications 228 (2017) 277–284.","chicago":"Glöckner, Helge. “Completeness of Locally K_ω-Groups and Related Infinite-Dimensional Lie Groups.” <i>Topology and Its Applications</i> 228 (2017): 277–284. <a href=\"https://doi.org/10.1016/j.topol.2017.05.007\">https://doi.org/10.1016/j.topol.2017.05.007</a>.","ieee":"H. Glöckner, “Completeness of locally k_ω-groups and related infinite-dimensional Lie groups,” <i>Topology and its Applications</i>, vol. 228, pp. 277–284, 2017, doi: <a href=\"https://doi.org/10.1016/j.topol.2017.05.007\">10.1016/j.topol.2017.05.007</a>.","apa":"Glöckner, H. (2017). 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Relativverschiebungen elastisch ausgleichen. <i>adhäsion KLEBEN &#38;amp; DICHTEN</i>. 2017;61(7-8):14-17. doi:<a href=\"https://doi.org/10.1007/s35145-017-0058-y\">10.1007/s35145-017-0058-y</a>","short":"S. Mailänder, D. Teutenberg, G. Meschut, adhäsion KLEBEN &#38;amp; DICHTEN 61 (2017) 14–17.","bibtex":"@article{Mailänder_Teutenberg_Meschut_2017, title={Relativverschiebungen elastisch ausgleichen}, volume={61}, DOI={<a href=\"https://doi.org/10.1007/s35145-017-0058-y\">10.1007/s35145-017-0058-y</a>}, number={7–8}, journal={adhäsion KLEBEN &#38;amp; DICHTEN}, publisher={Springer Science and Business Media LLC}, author={Mailänder, Sebastian and Teutenberg, Dominik and Meschut, Gerson}, year={2017}, pages={14–17} }","mla":"Mailänder, Sebastian, et al. “Relativverschiebungen elastisch ausgleichen.” <i>adhäsion KLEBEN &#38;amp; DICHTEN</i>, vol. 61, no. 7–8, Springer Science and Business Media LLC, 2017, pp. 14–17, doi:<a href=\"https://doi.org/10.1007/s35145-017-0058-y\">10.1007/s35145-017-0058-y</a>.","apa":"Mailänder, S., Teutenberg, D., &#38; Meschut, G. (2017). Relativverschiebungen elastisch ausgleichen. <i>adhäsion KLEBEN &#38;amp; DICHTEN</i>, <i>61</i>(7–8), 14–17. <a href=\"https://doi.org/10.1007/s35145-017-0058-y\">https://doi.org/10.1007/s35145-017-0058-y</a>","ieee":"S. Mailänder, D. Teutenberg, and G. Meschut, “Relativverschiebungen elastisch ausgleichen,” <i>adhäsion KLEBEN &#38;amp; DICHTEN</i>, vol. 61, no. 7–8, pp. 14–17, 2017, doi: <a href=\"https://doi.org/10.1007/s35145-017-0058-y\">10.1007/s35145-017-0058-y</a>."},"quality_controlled":"1","publisher":"Springer Science and Business Media LLC","_id":"64817","page":"14-17","volume":61,"user_id":"53912","status":"public","date_created":"2026-03-03T10:22:58Z","department":[{"_id":"157"}],"type":"journal_article","issue":"7-8","publication":"adhäsion KLEBEN &amp; DICHTEN","language":[{"iso":"ger"}],"doi":"10.1007/s35145-017-0058-y","author":[{"last_name":"Mailänder","first_name":"Sebastian","full_name":"Mailänder, Sebastian"},{"full_name":"Teutenberg, Dominik","first_name":"Dominik","last_name":"Teutenberg","id":"537"},{"id":"32056","last_name":"Meschut","first_name":"Gerson","orcid":"0000-0002-2763-1246","full_name":"Meschut, Gerson"}],"publication_identifier":{"issn":["1619-1919","2192-8681"]},"year":"2017","title":"Relativverschiebungen elastisch ausgleichen","intvolume":"        61","publication_status":"published","date_updated":"2026-03-03T10:24:02Z"},{"publisher":"Institute of Structural Analysis and Antiseismic Research School of Civil Engineering National Technical University of Athens (NTUA) Greece","_id":"62781","language":[{"iso":"eng"}],"doi":"10.7712/100016.1945.10899","user_id":"85414","title":"A THERMODYNAMICALLY CONSISTENT FINITE STRAIN MICRO-SPHERE FRAMEWORK FOR PHASE-TRANSFORMATION","year":"2017","status":"public","author":[{"orcid":"0000-0003-2147-8444","last_name":"Ostwald","first_name":"Richard","full_name":"Ostwald, Richard","id":"106876"},{"full_name":"Bartel, Thorsten","first_name":"Thorsten","last_name":"Bartel"},{"full_name":"Menzel, Andreas","last_name":"Menzel","first_name":"Andreas"}],"date_updated":"2025-12-03T13:08:15Z","publication_status":"published","date_created":"2025-12-03T13:07:09Z","type":"conference","department":[{"_id":"952"},{"_id":"321"}],"publication":"Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016)","citation":{"mla":"Ostwald, Richard, et al. “A THERMODYNAMICALLY CONSISTENT FINITE STRAIN MICRO-SPHERE FRAMEWORK FOR PHASE-TRANSFORMATION.” <i>Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016)</i>, Institute of Structural Analysis and Antiseismic Research School of Civil Engineering National Technical University of Athens (NTUA) Greece, 2017, doi:<a href=\"https://doi.org/10.7712/100016.1945.10899\">10.7712/100016.1945.10899</a>.","bibtex":"@inproceedings{Ostwald_Bartel_Menzel_2017, title={A THERMODYNAMICALLY CONSISTENT FINITE STRAIN MICRO-SPHERE FRAMEWORK FOR PHASE-TRANSFORMATION}, DOI={<a href=\"https://doi.org/10.7712/100016.1945.10899\">10.7712/100016.1945.10899</a>}, booktitle={Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016)}, publisher={Institute of Structural Analysis and Antiseismic Research School of Civil Engineering National Technical University of Athens (NTUA) Greece}, author={Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}, year={2017} }","ama":"Ostwald R, Bartel T, Menzel A. A THERMODYNAMICALLY CONSISTENT FINITE STRAIN MICRO-SPHERE FRAMEWORK FOR PHASE-TRANSFORMATION. In: <i>Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016)</i>. Institute of Structural Analysis and Antiseismic Research School of Civil Engineering National Technical University of Athens (NTUA) Greece; 2017. doi:<a href=\"https://doi.org/10.7712/100016.1945.10899\">10.7712/100016.1945.10899</a>","ieee":"R. Ostwald, T. Bartel, and A. Menzel, “A THERMODYNAMICALLY CONSISTENT FINITE STRAIN MICRO-SPHERE FRAMEWORK FOR PHASE-TRANSFORMATION,” 2017, doi: <a href=\"https://doi.org/10.7712/100016.1945.10899\">10.7712/100016.1945.10899</a>.","apa":"Ostwald, R., Bartel, T., &#38; Menzel, A. (2017). A THERMODYNAMICALLY CONSISTENT FINITE STRAIN MICRO-SPHERE FRAMEWORK FOR PHASE-TRANSFORMATION. <i>Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016)</i>. <a href=\"https://doi.org/10.7712/100016.1945.10899\">https://doi.org/10.7712/100016.1945.10899</a>","short":"R. Ostwald, T. Bartel, A. Menzel, in: Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016), Institute of Structural Analysis and Antiseismic Research School of Civil Engineering National Technical University of Athens (NTUA) Greece, 2017.","chicago":"Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “A THERMODYNAMICALLY CONSISTENT FINITE STRAIN MICRO-SPHERE FRAMEWORK FOR PHASE-TRANSFORMATION.” In <i>Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS Congress 2016)</i>. Institute of Structural Analysis and Antiseismic Research School of Civil Engineering National Technical University of Athens (NTUA) Greece, 2017. <a href=\"https://doi.org/10.7712/100016.1945.10899\">https://doi.org/10.7712/100016.1945.10899</a>."},"quality_controlled":"1"},{"keyword":["electrodeposition","metal-organic framework","MOF","supercapacitors"],"type":"journal_article","department":[{"_id":"985"}],"date_created":"2025-12-03T15:43:52Z","extern":"1","abstract":[{"text":"The thermolysis of electrodeposited metal–organic framework (MOF) films represents a novel approach to build supercapacitor electrodes of already electrically contacted MOF-derived high-performance metal oxide/carbon materials which are also highly interesting for other applications. MOFs are widely utilised as precursors to synthesise functional materials by thermal decomposition (pyrolysis, carbonisation). Using electrochemically coated MOF precursor films instead of powder greatly simplifies the processing of such materials and potentially enhances the resulting active materials' performance. In the case of electrochemical energy storage electrodes, the coated substrate later functions as current collector which is well-attached to the active material without the need for any additives. This close connection decreases electron transfer resistances and saves multiple steps of powder formulation and coating. Films of a metal–organic framework based on 1,3,5-benzene-tricarboxylate (BTC) and cobalt(II) cations were electrochemically coated on cobalt foils which act as the Co2+ cation source. Manganese films were electrodeposited and subsequently partly redissolved in a linker-containing electrolyte to achieve Mn/Mn–BTC bilayered films on stainless steel. This procedure extends the method for any kind of current collector material. The films were thermolysed to gain nanostructured metal oxide spinel (Me3O4)/carbon hybrid electrodes. Investigations of the electrochemical properties in regard to supercapacitor applications show that Co3O4/C films exhibit pseudocapacitance and that Mn3O4/C films are suitable for redox electrodes with high-rate capability operating in a wide potential range in aqueous electrolytes. Co–BTC powder was also thermally treated yielding cobalt particles embedded in a graphitic carbon matrix. The pseudocapacitive properties of conventionally coated films of this powder material are limited.","lang":"eng"}],"issue":"35","publication":"Journal of Materials Chemistry A","doi":"10.1039/c7ta01874f","main_file_link":[{"open_access":"1"}],"language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-03T16:34:29Z","article_type":"original","intvolume":"         5","year":"2017","title":"Electrodeposited films to MOF-derived electrochemical energy storage electrodes: a concept of simplified additive-free electrode processing for self-standing, ready-to-use materials","author":[{"id":"116779","first_name":"Julia","last_name":"Linnemann","orcid":"0000-0001-6883-5424","full_name":"Linnemann, Julia"},{"full_name":"Taudien, Laura","last_name":"Taudien","first_name":"Laura"},{"full_name":"Klose, Markus","first_name":"Markus","last_name":"Klose"},{"last_name":"Giebeler","first_name":"Lars","full_name":"Giebeler, Lars"}],"publication_identifier":{"issn":["2050-7488","2050-7496"]},"oa":"1","quality_controlled":"1","citation":{"short":"J. Linnemann, L. Taudien, M. Klose, L. Giebeler, Journal of Materials Chemistry A 5 (2017) 18420–18428.","chicago":"Linnemann, Julia, Laura Taudien, Markus Klose, and Lars Giebeler. “Electrodeposited Films to MOF-Derived Electrochemical Energy Storage Electrodes: A Concept of Simplified Additive-Free Electrode Processing for Self-Standing, Ready-to-Use Materials.” <i>Journal of Materials Chemistry A</i> 5, no. 35 (2017): 18420–28. <a href=\"https://doi.org/10.1039/c7ta01874f\">https://doi.org/10.1039/c7ta01874f</a>.","ieee":"J. Linnemann, L. Taudien, M. Klose, and L. Giebeler, “Electrodeposited films to MOF-derived electrochemical energy storage electrodes: a concept of simplified additive-free electrode processing for self-standing, ready-to-use materials,” <i>Journal of Materials Chemistry A</i>, vol. 5, no. 35, pp. 18420–18428, 2017, doi: <a href=\"https://doi.org/10.1039/c7ta01874f\">10.1039/c7ta01874f</a>.","apa":"Linnemann, J., Taudien, L., Klose, M., &#38; Giebeler, L. (2017). Electrodeposited films to MOF-derived electrochemical energy storage electrodes: a concept of simplified additive-free electrode processing for self-standing, ready-to-use materials. <i>Journal of Materials Chemistry A</i>, <i>5</i>(35), 18420–18428. <a href=\"https://doi.org/10.1039/c7ta01874f\">https://doi.org/10.1039/c7ta01874f</a>","bibtex":"@article{Linnemann_Taudien_Klose_Giebeler_2017, title={Electrodeposited films to MOF-derived electrochemical energy storage electrodes: a concept of simplified additive-free electrode processing for self-standing, ready-to-use materials}, volume={5}, DOI={<a href=\"https://doi.org/10.1039/c7ta01874f\">10.1039/c7ta01874f</a>}, number={35}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Linnemann, Julia and Taudien, Laura and Klose, Markus and Giebeler, Lars}, year={2017}, pages={18420–18428} }","ama":"Linnemann J, Taudien L, Klose M, Giebeler L. Electrodeposited films to MOF-derived electrochemical energy storage electrodes: a concept of simplified additive-free electrode processing for self-standing, ready-to-use materials. <i>Journal of Materials Chemistry A</i>. 2017;5(35):18420-18428. doi:<a href=\"https://doi.org/10.1039/c7ta01874f\">10.1039/c7ta01874f</a>","mla":"Linnemann, Julia, et al. “Electrodeposited Films to MOF-Derived Electrochemical Energy Storage Electrodes: A Concept of Simplified Additive-Free Electrode Processing for Self-Standing, Ready-to-Use Materials.” <i>Journal of Materials Chemistry A</i>, vol. 5, no. 35, Royal Society of Chemistry (RSC), 2017, pp. 18420–28, doi:<a href=\"https://doi.org/10.1039/c7ta01874f\">10.1039/c7ta01874f</a>."},"user_id":"116779","volume":5,"page":"18420-18428","_id":"62807","publisher":"Royal Society of Chemistry (RSC)","status":"public"},{"quality_controlled":"1","citation":{"mla":"Klose, Markus, et al. “Softwood Lignin as a Sustainable Feedstock for Porous Carbons as Active Material for Supercapacitors Using an Ionic Liquid Electrolyte.” <i>ACS Sustainable Chemistry &#38; Engineering</i>, vol. 5, no. 5, American Chemical Society (ACS), 2017, pp. 4094–102, doi:<a href=\"https://doi.org/10.1021/acssuschemeng.7b00058\">10.1021/acssuschemeng.7b00058</a>.","ama":"Klose M, Reinhold R, Logsch F, et al. Softwood Lignin as a Sustainable Feedstock for Porous Carbons as Active Material for Supercapacitors Using an Ionic Liquid Electrolyte. <i>ACS Sustainable Chemistry &#38; Engineering</i>. 2017;5(5):4094-4102. doi:<a href=\"https://doi.org/10.1021/acssuschemeng.7b00058\">10.1021/acssuschemeng.7b00058</a>","bibtex":"@article{Klose_Reinhold_Logsch_Wolke_Linnemann_Stoeck_Oswald_Uhlemann_Balach_Markowski_et al._2017, title={Softwood Lignin as a Sustainable Feedstock for Porous Carbons as Active Material for Supercapacitors Using an Ionic Liquid Electrolyte}, volume={5}, DOI={<a href=\"https://doi.org/10.1021/acssuschemeng.7b00058\">10.1021/acssuschemeng.7b00058</a>}, number={5}, journal={ACS Sustainable Chemistry &#38; Engineering}, publisher={American Chemical Society (ACS)}, author={Klose, Markus and Reinhold, Romy and Logsch, Florian and Wolke, Florian and Linnemann, Julia and Stoeck, Ulrich and Oswald, Steffen and Uhlemann, Martin and Balach, Juan and Markowski, Jens and et al.}, year={2017}, pages={4094–4102} }","apa":"Klose, M., Reinhold, R., Logsch, F., Wolke, F., Linnemann, J., Stoeck, U., Oswald, S., Uhlemann, M., Balach, J., Markowski, J., Ay, P., &#38; Giebeler, L. (2017). Softwood Lignin as a Sustainable Feedstock for Porous Carbons as Active Material for Supercapacitors Using an Ionic Liquid Electrolyte. <i>ACS Sustainable Chemistry &#38; Engineering</i>, <i>5</i>(5), 4094–4102. <a href=\"https://doi.org/10.1021/acssuschemeng.7b00058\">https://doi.org/10.1021/acssuschemeng.7b00058</a>","ieee":"M. Klose <i>et al.</i>, “Softwood Lignin as a Sustainable Feedstock for Porous Carbons as Active Material for Supercapacitors Using an Ionic Liquid Electrolyte,” <i>ACS Sustainable Chemistry &#38; Engineering</i>, vol. 5, no. 5, pp. 4094–4102, 2017, doi: <a href=\"https://doi.org/10.1021/acssuschemeng.7b00058\">10.1021/acssuschemeng.7b00058</a>.","chicago":"Klose, Markus, Romy Reinhold, Florian Logsch, Florian Wolke, Julia Linnemann, Ulrich Stoeck, Steffen Oswald, et al. “Softwood Lignin as a Sustainable Feedstock for Porous Carbons as Active Material for Supercapacitors Using an Ionic Liquid Electrolyte.” <i>ACS Sustainable Chemistry &#38; Engineering</i> 5, no. 5 (2017): 4094–4102. <a href=\"https://doi.org/10.1021/acssuschemeng.7b00058\">https://doi.org/10.1021/acssuschemeng.7b00058</a>.","short":"M. Klose, R. Reinhold, F. Logsch, F. Wolke, J. Linnemann, U. Stoeck, S. Oswald, M. Uhlemann, J. Balach, J. Markowski, P. Ay, L. Giebeler, ACS Sustainable Chemistry &#38; Engineering 5 (2017) 4094–4102."},"status":"public","user_id":"116779","volume":5,"page":"4094-4102","_id":"62804","publisher":"American Chemical Society (ACS)","extern":"1","abstract":[{"lang":"eng","text":"We report on the facile synthesis of porous carbons based on a biopolymer lignin employing a two-step process which includes the activation by KOH in various amounts under an inert gas atmosphere. The resulting carbons are characterized with regard to their structural properties and their electrochemical performance as an active material in double-layer capacitors using for the first time an ionic liquid (EMIBF4) as the electrolyte for this type of carbon material to enhance storage ability. A capacitance of more than 200 F g–1 at 10 A g–1 is achieved for a carbon with a specific surface area of more than 1800 m2 g–1. One of the most crucial factors determining the electrochemical response of the active materials was found to be the strong surface functionalization by oxygen-containing groups. Furthermore, the sulfur content of the carbon precursor lignin does not result in a significant amount of sulfur-containing surface functionalities which might interact with the electrolyte."}],"publication":"ACS Sustainable Chemistry & Engineering","issue":"5","type":"journal_article","keyword":["supercapacitor","carbon","pyrolysis","lignin"],"department":[{"_id":"985"}],"date_created":"2025-12-03T15:33:13Z","publication_status":"published","date_updated":"2025-12-03T16:36:06Z","article_type":"original","intvolume":"         5","year":"2017","title":"Softwood Lignin as a Sustainable Feedstock for Porous Carbons as Active Material for Supercapacitors Using an Ionic Liquid Electrolyte","author":[{"first_name":"Markus","last_name":"Klose","full_name":"Klose, Markus"},{"last_name":"Reinhold","first_name":"Romy","full_name":"Reinhold, Romy"},{"last_name":"Logsch","first_name":"Florian","full_name":"Logsch, Florian"},{"full_name":"Wolke, Florian","last_name":"Wolke","first_name":"Florian"},{"first_name":"Julia","last_name":"Linnemann","orcid":"0000-0001-6883-5424","full_name":"Linnemann, Julia","id":"116779"},{"last_name":"Stoeck","first_name":"Ulrich","full_name":"Stoeck, Ulrich"},{"first_name":"Steffen","last_name":"Oswald","full_name":"Oswald, Steffen"},{"full_name":"Uhlemann, Martin","first_name":"Martin","last_name":"Uhlemann"},{"first_name":"Juan","last_name":"Balach","full_name":"Balach, Juan"},{"last_name":"Markowski","first_name":"Jens","full_name":"Markowski, Jens"},{"full_name":"Ay, Peter","last_name":"Ay","first_name":"Peter"},{"full_name":"Giebeler, Lars","last_name":"Giebeler","first_name":"Lars"}],"publication_identifier":{"issn":["2168-0485","2168-0485"]},"doi":"10.1021/acssuschemeng.7b00058","language":[{"iso":"eng"}]},{"citation":{"ieee":"N. Kelly, K. Schnaars, K. Gloe, T. Doert, J. J. Weigand, and K. Gloe, “New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N’-Bis(3-alkoxy-2-hydroxybenzyl)cyclohexane-1,2-diamines: Synthesis and Structure*,” <i>Australian Journal of Chemistry</i>, vol. 70, no. 5, pp. 601–607, 2017, doi: <a href=\"https://doi.org/10.1071/ch16716\">10.1071/ch16716</a>.","apa":"Kelly, N., Schnaars, K., Gloe, K., Doert, T., Weigand, J. J., &#38; Gloe, K. (2017). New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N’-Bis(3-alkoxy-2-hydroxybenzyl)cyclohexane-1,2-diamines: Synthesis and Structure*. <i>Australian Journal of Chemistry</i>, <i>70</i>(5), 601–607. <a href=\"https://doi.org/10.1071/ch16716\">https://doi.org/10.1071/ch16716</a>","mla":"Kelly, Norman, et al. “New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N’-Bis(3-Alkoxy-2-Hydroxybenzyl)Cyclohexane-1,2-Diamines: Synthesis and Structure*.” <i>Australian Journal of Chemistry</i>, vol. 70, no. 5, CSIRO Publishing, 2017, pp. 601–07, doi:<a href=\"https://doi.org/10.1071/ch16716\">10.1071/ch16716</a>.","bibtex":"@article{Kelly_Schnaars_Gloe_Doert_Weigand_Gloe_2017, title={New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N’-Bis(3-alkoxy-2-hydroxybenzyl)cyclohexane-1,2-diamines: Synthesis and Structure*}, volume={70}, DOI={<a href=\"https://doi.org/10.1071/ch16716\">10.1071/ch16716</a>}, number={5}, journal={Australian Journal of Chemistry}, publisher={CSIRO Publishing}, author={Kelly, Norman and Schnaars, Kathleen and Gloe, Kerstin and Doert, Thomas and Weigand, Jan J. and Gloe, Karsten}, year={2017}, pages={601–607} }","ama":"Kelly N, Schnaars K, Gloe K, Doert T, Weigand JJ, Gloe K. New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N’-Bis(3-alkoxy-2-hydroxybenzyl)cyclohexane-1,2-diamines: Synthesis and Structure*. <i>Australian Journal of Chemistry</i>. 2017;70(5):601-607. doi:<a href=\"https://doi.org/10.1071/ch16716\">10.1071/ch16716</a>","short":"N. Kelly, K. Schnaars, K. Gloe, T. Doert, J.J. Weigand, K. Gloe, Australian Journal of Chemistry 70 (2017) 601–607.","chicago":"Kelly, Norman, Kathleen Schnaars, Kerstin Gloe, Thomas Doert, Jan J. Weigand, and Karsten Gloe. “New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N’-Bis(3-Alkoxy-2-Hydroxybenzyl)Cyclohexane-1,2-Diamines: Synthesis and Structure*.” <i>Australian Journal of Chemistry</i> 70, no. 5 (2017): 601–7. <a href=\"https://doi.org/10.1071/ch16716\">https://doi.org/10.1071/ch16716</a>."},"quality_controlled":"1","_id":"62855","publisher":"CSIRO Publishing","page":"601-607","volume":70,"user_id":"117735","status":"public","date_created":"2025-12-04T12:12:54Z","department":[{"_id":"985"}],"type":"journal_article","publication":"Australian Journal of Chemistry","issue":"5","extern":"1","abstract":[{"lang":"eng","text":"<jats:p>Two N,N'-bis(3-alkoxy-2-hydroxybenzyl)cyclohexane-1,2-diamine proligands, H2L1 (R = OCH3) and H2L2 (R = OC2H5), and five heterodinuclear ZnII/LnIII complexes, [Zn(L)(µ-CH3COO)Ln(NO3)2], containing [L1]2– and Gd3+, Tb3+, Er3+, or Yb3+ and [L2]2– and Yb3+ have been synthesised and structurally characterised. The complexes are isostructural and crystallise in the P21/n monoclinic space group. Zinc(ii) is coordinated by the inner N2O2 donor set of the ligand and an oxygen of the bridging acetate anion; the lanthanide(iii) ions possess an O9 coordination environment involving the interaction with the ligand’s outer O4 donor set, two bidentate nitrate ions, and the bridging acetate.</jats:p>"}],"language":[{"iso":"eng"}],"doi":"10.1071/ch16716","author":[{"last_name":"Kelly","first_name":"Norman","full_name":"Kelly, Norman"},{"full_name":"Schnaars, Kathleen","first_name":"Kathleen","last_name":"Schnaars","id":"117735"},{"last_name":"Gloe","first_name":"Kerstin","full_name":"Gloe, Kerstin"},{"last_name":"Doert","first_name":"Thomas","full_name":"Doert, Thomas"},{"last_name":"Weigand","first_name":"Jan J.","full_name":"Weigand, Jan J."},{"full_name":"Gloe, Karsten","last_name":"Gloe","first_name":"Karsten"}],"publication_identifier":{"issn":["0004-9425","1445-0038"]},"year":"2017","title":"New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N'-Bis(3-alkoxy-2-hydroxybenzyl)cyclohexane-1,2-diamines: Synthesis and Structure*","intvolume":"        70","publication_status":"published","date_updated":"2025-12-04T12:19:28Z"},{"quality_controlled":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"file_date_updated":"2020-08-30T14:37:31Z","citation":{"apa":"Schmidt, F., Landmann, M., Rauls, E., Argiolas, N., Sanna, S., Schmidt, W. G., &#38; Schindlmayr, A. (2017). Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory. <i>Advances in Materials Science and Engineering</i>, <i>2017</i>, Article 3981317. <a href=\"https://doi.org/10.1155/2017/3981317\">https://doi.org/10.1155/2017/3981317</a>","ieee":"F. Schmidt <i>et al.</i>, “Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory,” <i>Advances in Materials Science and Engineering</i>, vol. 2017, Art. no. 3981317, 2017, doi: <a href=\"https://doi.org/10.1155/2017/3981317\">10.1155/2017/3981317</a>.","short":"F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A. Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).","chicago":"Schmidt, Falko, Marc Landmann, Eva Rauls, Nicola Argiolas, Simone Sanna, Wolf Gero Schmidt, and Arno Schindlmayr. “Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory.” <i>Advances in Materials Science and Engineering</i> 2017 (2017). <a href=\"https://doi.org/10.1155/2017/3981317\">https://doi.org/10.1155/2017/3981317</a>.","mla":"Schmidt, Falko, et al. “Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory.” <i>Advances in Materials Science and Engineering</i>, vol. 2017, 3981317, Hindawi, 2017, doi:<a href=\"https://doi.org/10.1155/2017/3981317\">10.1155/2017/3981317</a>.","ama":"Schmidt F, Landmann M, Rauls E, et al. Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory. <i>Advances in Materials Science and Engineering</i>. 2017;2017. doi:<a href=\"https://doi.org/10.1155/2017/3981317\">10.1155/2017/3981317</a>","bibtex":"@article{Schmidt_Landmann_Rauls_Argiolas_Sanna_Schmidt_Schindlmayr_2017, title={Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory}, volume={2017}, DOI={<a href=\"https://doi.org/10.1155/2017/3981317\">10.1155/2017/3981317</a>}, number={3981317}, journal={Advances in Materials Science and Engineering}, publisher={Hindawi}, author={Schmidt, Falko and Landmann, Marc and Rauls, Eva and Argiolas, Nicola and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2017} }"},"isi":"1","oa":"1","external_id":{"isi":["000394873300001"]},"has_accepted_license":"1","status":"public","user_id":"16199","ddc":["530"],"volume":2017,"_id":"10023","publisher":"Hindawi","abstract":[{"text":"We perform a comprehensive theoretical study of the structural and electronic properties of potassium niobate (KNbO3) in the cubic, tetragonal, orthorhombic, monoclinic, and rhombohedral phase, based on density-functional theory. The influence of different parametrizations of the exchange-correlation functional on the investigated properties is analyzed in detail, and the results are compared to available experimental data. We argue that the PBEsol and AM05 generalized gradient approximations as well as the RTPSS meta-generalized gradient approximation yield consistently accurate structural data for both the external and internal degrees of freedom and are overall superior to the local-density approximation or other conventional generalized gradient approximations for the structural characterization of KNbO3. Band-structure calculations using a HSE-type hybrid functional further indicate significant near degeneracies of band-edge states in all phases which are expected to be relevant for the optical response of the material.","lang":"eng"}],"publication":"Advances in Materials Science and Engineering","type":"journal_article","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"file":[{"description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","date_created":"2020-08-28T09:27:19Z","creator":"schindlm","title":"Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory","file_id":"18538","content_type":"application/pdf","relation":"main_file","date_updated":"2020-08-30T14:37:31Z","file_name":"3981317.pdf","access_level":"open_access","file_size":985948}],"date_created":"2019-05-29T07:48:32Z","publication_status":"published","date_updated":"2025-12-05T09:58:11Z","article_type":"original","intvolume":"      2017","title":"Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory","year":"2017","publication_identifier":{"issn":["1687-8434"],"eissn":["1687-8442"]},"author":[{"id":"35251","full_name":"Schmidt, Falko","last_name":"Schmidt","first_name":"Falko","orcid":"0000-0002-5071-5528"},{"first_name":"Marc","last_name":"Landmann","full_name":"Landmann, Marc"},{"full_name":"Rauls, Eva","first_name":"Eva","last_name":"Rauls"},{"full_name":"Argiolas, Nicola","first_name":"Nicola","last_name":"Argiolas"},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"},{"id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","first_name":"Arno","orcid":"0000-0002-4855-071X","id":"458"}],"doi":"10.1155/2017/3981317","article_number":"3981317","language":[{"iso":"eng"}]},{"publication":"Physical Review Materials","issue":"3","abstract":[{"text":"The optical properties of pristine and titanium-doped LiNbO3 are modeled from first principles. The dielectric functions are calculated within time-dependent density-functional theory, and a model long-range contribution is employed for the exchange-correlation kernel in order to account for the electron-hole binding. Our study focuses on the influence of substitutional titanium atoms on lithium sites. We show that an increasing titanium concentration enhances the values of the refractive indices and the reflectivity.","lang":"eng"}],"related_material":{"record":[{"status":"public","relation":"other","id":"13410"}]},"file":[{"description":"© 2017 American Physical Society","date_created":"2020-08-27T19:39:54Z","creator":"schindlm","title":"Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory","file_id":"18467","content_type":"application/pdf","relation":"main_file","date_updated":"2020-08-30T14:36:11Z","file_name":"PhysRevMaterials.1.034401.pdf","file_size":708075,"access_level":"open_access"}],"date_created":"2019-05-29T07:42:33Z","type":"journal_article","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"27"}],"title":"Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory","year":"2017","author":[{"full_name":"Friedrich, Michael","last_name":"Friedrich","first_name":"Michael"},{"id":"468","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"}],"publication_identifier":{"issn":["2475-9953"]},"date_updated":"2025-12-05T10:07:07Z","publication_status":"published","intvolume":"         1","article_type":"original","article_number":"034401","language":[{"iso":"eng"}],"doi":"10.1103/PhysRevMaterials.1.034401","file_date_updated":"2020-08-30T14:36:11Z","isi":"1","citation":{"mla":"Friedrich, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory.” <i>Physical Review Materials</i>, vol. 1, no. 3, 034401, American Physical Society, 2017, doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.1.034401\">10.1103/PhysRevMaterials.1.034401</a>.","bibtex":"@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={<a href=\"https://doi.org/10.1103/PhysRevMaterials.1.034401\">10.1103/PhysRevMaterials.1.034401</a>}, number={3034401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }","ama":"Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. <i>Physical Review Materials</i>. 2017;1(3). doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.1.034401\">10.1103/PhysRevMaterials.1.034401</a>","ieee":"M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory,” <i>Physical Review Materials</i>, vol. 1, no. 3, Art. no. 034401, 2017, doi: <a href=\"https://doi.org/10.1103/PhysRevMaterials.1.034401\">10.1103/PhysRevMaterials.1.034401</a>.","apa":"Friedrich, M., Schmidt, W. G., Schindlmayr, A., &#38; Sanna, S. (2017). Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. <i>Physical Review Materials</i>, <i>1</i>(3), Article 034401. <a href=\"https://doi.org/10.1103/PhysRevMaterials.1.034401\">https://doi.org/10.1103/PhysRevMaterials.1.034401</a>","short":"M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017).","chicago":"Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna. “Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory.” <i>Physical Review Materials</i> 1, no. 3 (2017). <a href=\"https://doi.org/10.1103/PhysRevMaterials.1.034401\">https://doi.org/10.1103/PhysRevMaterials.1.034401</a>."},"quality_controlled":"1","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"TRR 142 - Subproject B3","_id":"68"}],"external_id":{"isi":["000416562300001"]},"oa":"1","status":"public","has_accepted_license":"1","publisher":"American Physical Society","_id":"10021","ddc":["530"],"user_id":"16199","volume":1},{"publication_status":"published","date_updated":"2025-12-05T10:14:23Z","article_type":"original","intvolume":"         1","title":"Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory","year":"2017","author":[{"last_name":"Friedrich","first_name":"Michael","full_name":"Friedrich, Michael"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468"},{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"}],"publication_identifier":{"eissn":["2475-9953"]},"doi":"10.1103/PhysRevMaterials.1.054406","article_number":"054406","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"The optical properties of congruent lithium niobate are analyzed from first principles. The dielectric function of the material is calculated within time-dependent density-functional theory. The effects of isolated intrinsic defects and defect pairs, including the NbLi4+ antisite and the NbLi4+−NbNb4+ pair, commonly addressed as a bound polaron and bipolaron, respectively, are discussed in detail. In addition, we present further possible realizations of polaronic and bipolaronic systems. The absorption feature around 1.64 eV, ascribed to small bound polarons [O. F. Schirmer et al., J. Phys.: Condens. Matter 21, 123201 (2009)], is nicely reproduced within these models. Among the investigated defects, we find that the presence of bipolarons at bound interstitial-vacancy pairs NbV−VLi can best explain the experimentally observed broad absorption band at 2.5 eV. Our results provide a microscopic model for the observed optical spectra and suggest that, besides NbLi antisites and Nb and Li vacancies, Nb interstitials are also formed in congruent lithium-niobate samples."}],"publication":"Physical Review Materials","issue":"5","type":"journal_article","department":[{"_id":"296"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"15"},{"_id":"27"}],"file":[{"content_type":"application/pdf","file_id":"18468","title":"Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory","file_size":1417182,"access_level":"open_access","file_name":"PhysRevMaterials.1.054406.pdf","date_updated":"2020-08-30T14:38:50Z","relation":"main_file","date_created":"2020-08-27T19:43:49Z","description":"© 2017 American Physical Society","creator":"schindlm"}],"date_created":"2019-09-20T11:54:25Z","has_accepted_license":"1","status":"public","user_id":"16199","ddc":["530"],"volume":1,"publisher":"American Physical Society","_id":"13416","quality_controlled":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B3","_id":"68"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"file_date_updated":"2020-08-30T14:38:50Z","citation":{"bibtex":"@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={<a href=\"https://doi.org/10.1103/PhysRevMaterials.1.054406\">10.1103/PhysRevMaterials.1.054406</a>}, number={5054406}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }","ama":"Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory. <i>Physical Review Materials</i>. 2017;1(5). doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.1.054406\">10.1103/PhysRevMaterials.1.054406</a>","mla":"Friedrich, Michael, et al. “Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional Theory.” <i>Physical Review Materials</i>, vol. 1, no. 5, 054406, American Physical Society, 2017, doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.1.054406\">10.1103/PhysRevMaterials.1.054406</a>.","chicago":"Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna. “Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional Theory.” <i>Physical Review Materials</i> 1, no. 5 (2017). <a href=\"https://doi.org/10.1103/PhysRevMaterials.1.054406\">https://doi.org/10.1103/PhysRevMaterials.1.054406</a>.","short":"M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017).","ieee":"M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory,” <i>Physical Review Materials</i>, vol. 1, no. 5, Art. no. 054406, 2017, doi: <a href=\"https://doi.org/10.1103/PhysRevMaterials.1.054406\">10.1103/PhysRevMaterials.1.054406</a>.","apa":"Friedrich, M., Schmidt, W. G., Schindlmayr, A., &#38; Sanna, S. (2017). Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory. <i>Physical Review Materials</i>, <i>1</i>(5), Article 054406. <a href=\"https://doi.org/10.1103/PhysRevMaterials.1.054406\">https://doi.org/10.1103/PhysRevMaterials.1.054406</a>"},"isi":"1","oa":"1","external_id":{"isi":["000416586100003"]}},{"isi":"1","citation":{"ama":"Riefer A, Weber N, Mund J, et al. Zn–VI quasiparticle gaps and optical spectra from many-body calculations. <i>Journal of Physics: Condensed Matter</i>. 2017;29(21). doi:<a href=\"https://doi.org/10.1088/1361-648x/aa6b2a\">10.1088/1361-648x/aa6b2a</a>","bibtex":"@article{Riefer_Weber_Mund_Yakovlev_Bayer_Schindlmayr_Meier_Schmidt_2017, title={Zn–VI quasiparticle gaps and optical spectra from many-body calculations}, volume={29}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/aa6b2a\">10.1088/1361-648x/aa6b2a</a>}, number={21215702}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Riefer, Arthur and Weber, Nils and Mund, Johannes and Yakovlev, Dmitri R. and Bayer, Manfred and Schindlmayr, Arno and Meier, Cedrik and Schmidt, Wolf Gero}, year={2017} }","mla":"Riefer, Arthur, et al. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 21, 215702, IOP Publishing, 2017, doi:<a href=\"https://doi.org/10.1088/1361-648x/aa6b2a\">10.1088/1361-648x/aa6b2a</a>.","short":"A. Riefer, N. Weber, J. Mund, D.R. Yakovlev, M. Bayer, A. Schindlmayr, C. Meier, W.G. Schmidt, Journal of Physics: Condensed Matter 29 (2017).","chicago":"Riefer, Arthur, Nils Weber, Johannes Mund, Dmitri R. Yakovlev, Manfred Bayer, Arno Schindlmayr, Cedrik Meier, and Wolf Gero Schmidt. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.” <i>Journal of Physics: Condensed Matter</i> 29, no. 21 (2017). <a href=\"https://doi.org/10.1088/1361-648x/aa6b2a\">https://doi.org/10.1088/1361-648x/aa6b2a</a>.","apa":"Riefer, A., Weber, N., Mund, J., Yakovlev, D. R., Bayer, M., Schindlmayr, A., Meier, C., &#38; Schmidt, W. G. (2017). Zn–VI quasiparticle gaps and optical spectra from many-body calculations. <i>Journal of Physics: Condensed Matter</i>, <i>29</i>(21), Article 215702. <a href=\"https://doi.org/10.1088/1361-648x/aa6b2a\">https://doi.org/10.1088/1361-648x/aa6b2a</a>","ieee":"A. Riefer <i>et al.</i>, “Zn–VI quasiparticle gaps and optical spectra from many-body calculations,” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 21, Art. no. 215702, 2017, doi: <a href=\"https://doi.org/10.1088/1361-648x/aa6b2a\">10.1088/1361-648x/aa6b2a</a>."},"file_date_updated":"2020-08-30T14:34:08Z","project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B1","_id":"66"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"quality_controlled":"1","external_id":{"pmid":["28374685"],"isi":["000400093100001"]},"status":"public","has_accepted_license":"1","_id":"7481","publisher":"IOP Publishing","volume":29,"user_id":"16199","ddc":["530"],"publication":"Journal of Physics: Condensed Matter","issue":"21","abstract":[{"text":"The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the G0W0 (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn–VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe–Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.","lang":"eng"}],"date_created":"2019-02-04T13:46:58Z","file":[{"creator":"schindlm","date_created":"2020-08-28T14:01:15Z","description":"© 2017 IOP Publishing Ltd","file_size":2551657,"access_level":"closed","file_name":"Riefer_2017_J._Phys. _Condens._Matter_29_215702.pdf","date_updated":"2020-08-30T14:34:08Z","relation":"main_file","content_type":"application/pdf","file_id":"18574","title":"Zn–VI quasiparticle gaps and optical spectra from many-body calculations"}],"department":[{"_id":"287"},{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"429"},{"_id":"27"}],"type":"journal_article","publication_identifier":{"eissn":["1361-648X"],"issn":["0953-8984"]},"author":[{"full_name":"Riefer, Arthur","first_name":"Arthur","last_name":"Riefer"},{"full_name":"Weber, Nils","last_name":"Weber","first_name":"Nils"},{"last_name":"Mund","first_name":"Johannes","full_name":"Mund, Johannes"},{"last_name":"Yakovlev","first_name":"Dmitri R.","full_name":"Yakovlev, Dmitri R."},{"first_name":"Manfred","last_name":"Bayer","full_name":"Bayer, Manfred"},{"id":"458","orcid":"0000-0002-4855-071X","first_name":"Arno","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno"},{"id":"20798","last_name":"Meier","orcid":"https://orcid.org/0000-0002-3787-3572","first_name":"Cedrik","full_name":"Meier, Cedrik"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468"}],"title":"Zn–VI quasiparticle gaps and optical spectra from many-body calculations","year":"2017","article_type":"original","intvolume":"        29","publication_status":"published","date_updated":"2025-12-16T11:07:33Z","language":[{"iso":"eng"}],"article_number":"215702","pmid":"1","doi":"10.1088/1361-648x/aa6b2a"},{"date_created":"2023-09-13T09:30:42Z","file":[{"file_id":"57518","content_type":"application/pdf","success":1,"file_name":"Güldenpenning et al.,.pdf","access_level":"closed","file_size":94534,"relation":"main_file","date_updated":"2024-11-29T12:43:08Z","date_created":"2024-11-29T12:43:08Z","creator":"iguelden"}],"department":[{"_id":"266"},{"_id":"17"}],"type":"conference_abstract","publication":"Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie","language":[{"iso":"ger"}],"author":[{"id":"52931","first_name":"Iris","orcid":"0000-0003-0549-5543","last_name":"Güldenpenning","full_name":"Güldenpenning, Iris"},{"full_name":"Kunde, W.","last_name":"Kunde","first_name":"W."},{"last_name":"Weigelt","first_name":"Matthias","full_name":"Weigelt, Matthias","id":"36388"}],"year":"2017","title":"Ist der Blicktäuschungseffekt im  Basketball robust gegenüber Übungseffekten?","date_updated":"2024-11-29T12:43:18Z","place":"Bern","citation":{"apa":"Güldenpenning, I., Kunde, W., &#38; Weigelt, M. (2017). Ist der Blicktäuschungseffekt im  Basketball robust gegenüber Übungseffekten? In C. Zuber, J. Schmid, M. Schmidt, M. Wegner, &#38; A. Conzelmann (Eds.), <i>Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie</i> (pp. 42–43).","ieee":"I. Güldenpenning, W. Kunde, and M. Weigelt, “Ist der Blicktäuschungseffekt im  Basketball robust gegenüber Übungseffekten?,” in <i>Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie</i>, Bern, 2017, pp. 42–43.","short":"I. Güldenpenning, W. Kunde, M. Weigelt, in: C. Zuber, J. Schmid, M. Schmidt, M. Wegner, A. Conzelmann (Eds.), Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie, Bern, 2017, pp. 42–43.","chicago":"Güldenpenning, Iris, W. Kunde, and Matthias Weigelt. “Ist der Blicktäuschungseffekt im  Basketball robust gegenüber Übungseffekten?” In <i>Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie</i>, edited by C. Zuber, J. Schmid, M. Schmidt, M. Wegner, and A. Conzelmann, 42–43. Bern, 2017.","mla":"Güldenpenning, Iris, et al. “Ist der Blicktäuschungseffekt im  Basketball robust gegenüber Übungseffekten?” <i>Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie</i>, edited by C. Zuber et al., 2017, pp. 42–43.","ama":"Güldenpenning I, Kunde W, Weigelt M. Ist der Blicktäuschungseffekt im  Basketball robust gegenüber Übungseffekten? In: Zuber C, Schmid J, Schmidt M, Wegner M, Conzelmann A, eds. <i>Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie</i>. ; 2017:42-43.","bibtex":"@inproceedings{Güldenpenning_Kunde_Weigelt_2017, place={Bern}, title={Ist der Blicktäuschungseffekt im  Basketball robust gegenüber Übungseffekten?}, booktitle={Abstracts der 49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie}, author={Güldenpenning, Iris and Kunde, W. and Weigelt, Matthias}, editor={Zuber, C. and Schmid, J. and Schmidt, M. and Wegner, M. and Conzelmann, A.}, year={2017}, pages={42–43} }"},"file_date_updated":"2024-11-29T12:43:08Z","quality_controlled":"1","_id":"47002","page":"42-43","editor":[{"last_name":"Zuber","first_name":"C.","full_name":"Zuber, C."},{"last_name":"Schmid","first_name":"J.","full_name":"Schmid, J."},{"last_name":"Schmidt","first_name":"M.","full_name":"Schmidt, M."},{"full_name":"Wegner, M.","first_name":"M.","last_name":"Wegner"},{"first_name":"A.","last_name":"Conzelmann","full_name":"Conzelmann, A."}],"user_id":"52931","ddc":["150"],"conference":{"location":"Bern","name":"49. Jahrestagung der Arbeitsgemeinschaft für Sportpsychologie (asp)"},"status":"public","has_accepted_license":"1"},{"publication":"Abstracts of the 59th Conference of Experimental Psychologists (TeaP)","file":[{"file_name":"Güldenpenning et al. Teap 2017-1.pdf","file_size":79960,"access_level":"closed","relation":"main_file","date_updated":"2024-11-29T12:45:40Z","file_id":"57520","content_type":"application/pdf","success":1,"creator":"iguelden","date_created":"2024-11-29T12:45:40Z"}],"date_created":"2023-09-13T08:29:13Z","type":"conference_abstract","department":[{"_id":"266"},{"_id":"17"}],"title":"Head fake or Blicktäuschung? Investigating the source of information  conflict during fake action in sports","year":"2017","author":[{"id":"52931","orcid":"0000-0003-0549-5543","first_name":"Iris","last_name":"Güldenpenning","full_name":"Güldenpenning, Iris"},{"last_name":"Alhaj Ahmad Alaboud","first_name":"M.","full_name":"Alhaj Ahmad Alaboud, M."},{"last_name":"Steggemann-Weinrich","first_name":"Y.","full_name":"Steggemann-Weinrich, Y."},{"last_name":"Kunde","first_name":"W.","full_name":"Kunde, W."},{"first_name":"Matthias","last_name":"Weigelt","full_name":"Weigelt, Matthias","id":"36388"}],"publication_status":"published","date_updated":"2024-11-29T12:45:48Z","language":[{"iso":"eng"}],"file_date_updated":"2024-11-29T12:45:40Z","citation":{"apa":"Güldenpenning, I., Alhaj Ahmad Alaboud, M., Steggemann-Weinrich, Y., Kunde, W., &#38; Weigelt, M. (2017). Head fake or Blicktäuschung? Investigating the source of information  conflict during fake action in sports. In T. Goschke, A. Bolte, &#38; C. Kirschbaum (Eds.), <i>Abstracts of the 59th Conference of Experimental Psychologists (TeaP)</i> (pp. 58–59). Pabst Science Publishers.","ieee":"I. Güldenpenning, M. Alhaj Ahmad Alaboud, Y. Steggemann-Weinrich, W. Kunde, and M. Weigelt, “Head fake or Blicktäuschung? Investigating the source of information  conflict during fake action in sports,” in <i>Abstracts of the 59th Conference of Experimental Psychologists (TeaP)</i>, Dresden, 2017, pp. 58–59.","chicago":"Güldenpenning, Iris, M. Alhaj Ahmad Alaboud, Y. Steggemann-Weinrich, W. Kunde, and Matthias Weigelt. “Head Fake or Blicktäuschung? Investigating the Source of Information  Conflict during Fake Action in Sports.” In <i>Abstracts of the 59th Conference of Experimental Psychologists (TeaP)</i>, edited by T. Goschke, A. Bolte, and C. Kirschbaum, 58–59. Lengerich: Pabst Science Publishers, 2017.","short":"I. Güldenpenning, M. Alhaj Ahmad Alaboud, Y. Steggemann-Weinrich, W. Kunde, M. Weigelt, in: T. Goschke, A. Bolte, C. Kirschbaum (Eds.), Abstracts of the 59th Conference of Experimental Psychologists (TeaP), Pabst Science Publishers, Lengerich, 2017, pp. 58–59.","mla":"Güldenpenning, Iris, et al. “Head Fake or Blicktäuschung? Investigating the Source of Information  Conflict during Fake Action in Sports.” <i>Abstracts of the 59th Conference of Experimental Psychologists (TeaP)</i>, edited by T. Goschke et al., Pabst Science Publishers, 2017, pp. 58–59.","ama":"Güldenpenning I, Alhaj Ahmad Alaboud M, Steggemann-Weinrich Y, Kunde W, Weigelt M. Head fake or Blicktäuschung? Investigating the source of information  conflict during fake action in sports. In: Goschke T, Bolte A, Kirschbaum C, eds. <i>Abstracts of the 59th Conference of Experimental Psychologists (TeaP)</i>. Pabst Science Publishers; 2017:58-59.","bibtex":"@inproceedings{Güldenpenning_Alhaj Ahmad Alaboud_Steggemann-Weinrich_Kunde_Weigelt_2017, place={Lengerich}, title={Head fake or Blicktäuschung? Investigating the source of information  conflict during fake action in sports}, booktitle={Abstracts of the 59th Conference of Experimental Psychologists (TeaP)}, publisher={Pabst Science Publishers}, author={Güldenpenning, Iris and Alhaj Ahmad Alaboud, M. and Steggemann-Weinrich, Y. and Kunde, W. and Weigelt, Matthias}, editor={Goschke, T. and Bolte, A. and Kirschbaum, C.}, year={2017}, pages={58–59} }"},"quality_controlled":"1","place":"Lengerich","status":"public","conference":{"location":"Dresden","name":"59th Conference of Experimental Psychologists (TeaP)"},"has_accepted_license":"1","page":"58-59","_id":"46999","publisher":"Pabst Science Publishers","user_id":"52931","ddc":["150"],"editor":[{"full_name":"Goschke, T.","last_name":"Goschke","first_name":"T."},{"last_name":"Bolte","first_name":"A.","full_name":"Bolte, A."},{"last_name":"Kirschbaum","first_name":"C.","full_name":"Kirschbaum, C."}]},{"user_id":"52931","ddc":["150"],"editor":[{"full_name":"Schwirtz, A.","last_name":"Schwirtz","first_name":"A."},{"full_name":"Mess, F.","last_name":"Mess","first_name":"F."},{"full_name":"Demetriou, Y.","last_name":"Demetriou","first_name":"Y."},{"last_name":"Senner","first_name":"V.","full_name":"Senner, V."}],"_id":"47004","publisher":"Feldhaus Verlag","has_accepted_license":"1","status":"public","place":"Hamburg","quality_controlled":"1","file_date_updated":"2024-11-29T12:44:13Z","citation":{"chicago":"Güldenpenning, Iris, M. Alhaj Ahmad Alaboud, Y. Steggemann-Weinrich, W. Kunde, and Matthias Weigelt. “Head fake or Blicktäuschung? Investigating the source of information  conflict during fake action in sports.” In <i>Tagungsband des 23. Hochschultag</i>, edited by A. Schwirtz, F. Mess, Y. Demetriou, and V. Senner. Hamburg: Feldhaus Verlag, 2017.","short":"I. Güldenpenning, M. Alhaj Ahmad Alaboud, Y. Steggemann-Weinrich, W. Kunde, M. Weigelt, in: A. Schwirtz, F. Mess, Y. Demetriou, V. Senner (Eds.), Tagungsband des 23. Hochschultag, Feldhaus Verlag, Hamburg, 2017.","apa":"Güldenpenning, I., Alhaj Ahmad Alaboud, M., Steggemann-Weinrich, Y., Kunde, W., &#38; Weigelt, M. (2017). Head fake or Blicktäuschung? Investigating the source of information  conflict during fake action in sports. In A. Schwirtz, F. Mess, Y. Demetriou, &#38; V. Senner (Eds.), <i>Tagungsband des 23. Hochschultag</i>. Feldhaus Verlag.","ieee":"I. Güldenpenning, M. Alhaj Ahmad Alaboud, Y. Steggemann-Weinrich, W. Kunde, and M. 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