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A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices. <i>Energy &#38; Environmental Science</i>, <i>15</i>(10), 4323–4337. <a href=\"https://doi.org/10.1039/d2ee01754g\">https://doi.org/10.1039/d2ee01754g</a>","bibtex":"@article{Mathieson_Dose_Steinrück_Takacs_Feldmann_Pandya_Merryweather_Mackanic_Rao_Deschler_et al._2022, title={A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices}, volume={15}, DOI={<a href=\"https://doi.org/10.1039/d2ee01754g\">10.1039/d2ee01754g</a>}, number={10}, journal={Energy &#38; Environmental Science}, publisher={Royal Society of Chemistry (RSC)}, author={Mathieson, Angus G. M. and Dose, Wesley M. and Steinrück, Hans-Georg and Takacs, Christopher J. and Feldmann, Sascha and Pandya, Raj and Merryweather, Alice J. and Mackanic, David and Rao, Akshay and Deschler, Felix and et al.}, year={2022}, pages={4323–4337} }","mla":"Mathieson, Angus G. M., et al. “A Mechanistic Study of the Dopant-Induced Breakdown in Halide Perovskites Using Solid State Energy Storage Devices.” <i>Energy &#38; Environmental Science</i>, vol. 15, no. 10, Royal Society of Chemistry (RSC), 2022, pp. 4323–37, doi:<a href=\"https://doi.org/10.1039/d2ee01754g\">10.1039/d2ee01754g</a>.","short":"A.G.M. Mathieson, W.M. Dose, H.-G. Steinrück, C.J. Takacs, S. Feldmann, R. Pandya, A.J. Merryweather, D. Mackanic, A. Rao, F. Deschler, M. De Volder, Energy &#38; Environmental Science 15 (2022) 4323–4337."},"page":"4323-4337","intvolume":"        15","date_updated":"2023-05-19T12:32:32Z","publisher":"Royal Society of Chemistry (RSC)","author":[{"last_name":"Mathieson","full_name":"Mathieson, Angus G. M.","first_name":"Angus G. M."},{"full_name":"Dose, Wesley M.","last_name":"Dose","first_name":"Wesley M."},{"first_name":"Hans-Georg","id":"84268","full_name":"Steinrück, Hans-Georg","last_name":"Steinrück","orcid":"0000-0001-6373-0877"},{"full_name":"Takacs, Christopher J.","last_name":"Takacs","first_name":"Christopher J."},{"last_name":"Feldmann","full_name":"Feldmann, Sascha","first_name":"Sascha"},{"last_name":"Pandya","full_name":"Pandya, Raj","first_name":"Raj"},{"first_name":"Alice J.","full_name":"Merryweather, Alice J.","last_name":"Merryweather"},{"full_name":"Mackanic, David","last_name":"Mackanic","first_name":"David"},{"first_name":"Akshay","last_name":"Rao","full_name":"Rao, Akshay"},{"last_name":"Deschler","full_name":"Deschler, Felix","first_name":"Felix"},{"first_name":"Michael","full_name":"De Volder, Michael","last_name":"De Volder"}],"date_created":"2022-10-20T12:24:37Z","volume":15,"title":"A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices","doi":"10.1039/d2ee01754g","type":"journal_article","publication":"Energy & Environmental Science","abstract":[{"lang":"eng","text":"<jats:p>Elucidating and quantifying the effects of doping on halide perovskites using lithium ion batteries.</jats:p>"}],"status":"public","_id":"33834","user_id":"84268","department":[{"_id":"633"}],"keyword":["Pollution","Nuclear Energy and Engineering","Renewable Energy","Sustainability and the Environment","Environmental Chemistry"],"language":[{"iso":"eng"}]},{"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"external_id":{"arxiv":["2205.14741"]},"_id":"32404","user_id":"75963","department":[{"_id":"27"},{"_id":"518"},{"_id":"304"}],"language":[{"iso":"eng"}],"type":"preprint","publication":"arXiv:2205.14741","abstract":[{"lang":"eng","text":"The CP2K program package, which can be considered as the swiss army knife of\r\natomistic simulations, is presented with a special emphasis on ab-initio\r\nmolecular dynamics using the second-generation Car-Parrinello method. After\r\noutlining current and near-term development efforts with regards to massively\r\nparallel low-scaling post-Hartree-Fock and eigenvalue solvers, novel approaches\r\non how we plan to take full advantage of future low-precision hardware\r\narchitectures are introduced. Our focus here is on combining our submatrix\r\nmethod with the approximate computing paradigm to address the immanent exascale\r\nera."}],"status":"public","date_updated":"2023-08-02T14:55:35Z","author":[{"first_name":"Thomas","last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas"},{"last_name":"Plessl","orcid":"0000-0001-5728-9982","full_name":"Plessl, Christian","id":"16153","first_name":"Christian"},{"first_name":"Robert","full_name":"Schade, Robert","id":"75963","orcid":"0000-0002-6268-539","last_name":"Schade"},{"last_name":"Schütt","full_name":"Schütt, Ole","first_name":"Ole"}],"date_created":"2022-07-22T08:14:08Z","title":"CP2K on the road to exascale","main_file_link":[{"url":"https://arxiv.org/abs/2205.14741"}],"year":"2022","citation":{"bibtex":"@article{Kühne_Plessl_Schade_Schütt_2022, title={CP2K on the road to exascale}, journal={arXiv:2205.14741}, author={Kühne, Thomas and Plessl, Christian and Schade, Robert and Schütt, Ole}, year={2022} }","short":"T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).","mla":"Kühne, Thomas, et al. “CP2K on the Road to Exascale.” <i>ArXiv:2205.14741</i>, 2022.","apa":"Kühne, T., Plessl, C., Schade, R., &#38; Schütt, O. (2022). CP2K on the road to exascale. In <i>arXiv:2205.14741</i>.","ieee":"T. Kühne, C. Plessl, R. Schade, and O. Schütt, “CP2K on the road to exascale,” <i>arXiv:2205.14741</i>. 2022.","chicago":"Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CP2K on the Road to Exascale.” <i>ArXiv:2205.14741</i>, 2022.","ama":"Kühne T, Plessl C, Schade R, Schütt O. CP2K on the road to exascale. <i>arXiv:220514741</i>. Published online 2022."}},{"type":"journal_article","status":"public","user_id":"75963","department":[{"_id":"613"},{"_id":"27"},{"_id":"518"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"33684","article_number":"102920","publication_status":"published","publication_identifier":{"issn":["0167-8191"]},"citation":{"bibtex":"@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2022, title={Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms}, volume={111}, DOI={<a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>}, number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas and et al.}, year={2022} }","mla":"Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” <i>Parallel Computing</i>, vol. 111, 102920, Elsevier BV, 2022, doi:<a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>.","short":"R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).","apa":"Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst, H., Mohr, S., Hutter, J., Kühne, T., &#38; Plessl, C. (2022). Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. <i>Parallel Computing</i>, <i>111</i>, Article 102920. <a href=\"https://doi.org/10.1016/j.parco.2022.102920\">https://doi.org/10.1016/j.parco.2022.102920</a>","ama":"Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. <i>Parallel Computing</i>. 2022;111. doi:<a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>","ieee":"R. Schade <i>et al.</i>, “Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms,” <i>Parallel Computing</i>, vol. 111, Art. no. 102920, 2022, doi: <a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>.","chicago":"Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” <i>Parallel Computing</i> 111 (2022). <a href=\"https://doi.org/10.1016/j.parco.2022.102920\">https://doi.org/10.1016/j.parco.2022.102920</a>."},"intvolume":"       111","author":[{"first_name":"Robert","full_name":"Schade, Robert","id":"75963","last_name":"Schade","orcid":"0000-0002-6268-539"},{"last_name":"Kenter","full_name":"Kenter, Tobias","id":"3145","first_name":"Tobias"},{"first_name":"Hossam","full_name":"Elgabarty, Hossam","id":"60250","orcid":"0000-0002-4945-1481","last_name":"Elgabarty"},{"first_name":"Michael","full_name":"Lass, Michael","id":"24135","orcid":"0000-0002-5708-7632","last_name":"Lass"},{"full_name":"Schütt, Ole","last_name":"Schütt","first_name":"Ole"},{"first_name":"Alfio","full_name":"Lazzaro, Alfio","last_name":"Lazzaro"},{"first_name":"Hans","last_name":"Pabst","full_name":"Pabst, Hans"},{"last_name":"Mohr","full_name":"Mohr, Stephan","first_name":"Stephan"},{"first_name":"Jürg","last_name":"Hutter","full_name":"Hutter, Jürg"},{"first_name":"Thomas","full_name":"Kühne, Thomas","id":"49079","last_name":"Kühne"},{"id":"16153","full_name":"Plessl, Christian","last_name":"Plessl","orcid":"0000-0001-5728-9982","first_name":"Christian"}],"volume":111,"oa":"1","date_updated":"2023-08-02T15:03:55Z","main_file_link":[{"url":"https://www.sciencedirect.com/science/article/pii/S0167819122000242","open_access":"1"}],"doi":"10.1016/j.parco.2022.102920","publication":"Parallel Computing","language":[{"iso":"eng"}],"keyword":["Artificial Intelligence","Computer Graphics and Computer-Aided Design","Computer Networks and Communications","Hardware and Architecture","Theoretical Computer Science","Software"],"quality_controlled":"1","year":"2022","date_created":"2022-10-11T08:17:02Z","publisher":"Elsevier BV","title":"Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms"},{"volume":449,"author":[{"first_name":"K.","last_name":"Bobzin","full_name":"Bobzin, K."},{"first_name":"C.","full_name":"Kalscheuer, C.","last_name":"Kalscheuer"},{"full_name":"Grundmeier, Guido","id":"194","last_name":"Grundmeier","first_name":"Guido"},{"first_name":"S.","full_name":"Kollmann, S.","last_name":"Kollmann"},{"full_name":"Carlet, M.","last_name":"Carlet","first_name":"M."},{"id":"54556","full_name":"de los Arcos de Pedro, Maria Teresa","last_name":"de los Arcos de Pedro","first_name":"Maria Teresa"}],"date_created":"2023-08-11T14:08:33Z","date_updated":"2023-08-11T14:13:27Z","publisher":"Elsevier BV","doi":"10.1016/j.surfcoat.2022.128927","title":"Oxidation stability of chromium aluminum oxynitride hard coatings","publication_identifier":{"issn":["0257-8972"]},"publication_status":"published","intvolume":"       449","citation":{"chicago":"Bobzin, K., C. 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Oxidation stability of chromium aluminum oxynitride hard coatings. <i>Surface and Coatings Technology</i>, <i>449</i>, Article 128927. <a href=\"https://doi.org/10.1016/j.surfcoat.2022.128927\">https://doi.org/10.1016/j.surfcoat.2022.128927</a>"},"year":"2022","department":[{"_id":"302"}],"user_id":"54556","_id":"46479","language":[{"iso":"eng"}],"keyword":["Materials Chemistry","Surfaces","Coatings and Films","Surfaces and Interfaces","Condensed Matter Physics","General Chemistry"],"article_number":"128927","publication":"Surface and Coatings Technology","type":"journal_article","status":"public"},{"title":"Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht","date_updated":"2023-08-14T18:17:07Z","author":[{"full_name":"Elsner, Julia","id":"54277","last_name":"Elsner","first_name":"Julia"},{"first_name":"Claudia","full_name":"Tenberge, Claudia","id":"67302","last_name":"Tenberge"},{"first_name":"Sabine","full_name":"Fechner, Sabine","id":"54823","orcid":"0000-0001-5645-5870","last_name":"Fechner"}],"date_created":"2022-10-07T11:31:51Z","volume":42,"year":"2022","citation":{"short":"J. 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How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation.” <i>Catalysts</i> 12, no. 6 (2022). <a href=\"https://doi.org/10.3390/catal12060675\">https://doi.org/10.3390/catal12060675</a>.","ieee":"S. Schlicher <i>et al.</i>, “Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation,” <i>Catalysts</i>, vol. 12, no. 6, Art. no. 675, 2022, doi: <a href=\"https://doi.org/10.3390/catal12060675\">10.3390/catal12060675</a>.","ama":"Schlicher S, Prinz N, Bürger J, et al. Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation. <i>Catalysts</i>. 2022;12(6). doi:<a href=\"https://doi.org/10.3390/catal12060675\">10.3390/catal12060675</a>","bibtex":"@article{Schlicher_Prinz_Bürger_Omlor_Singer_Zobel_Schoch_Lindner_Schünemann_Kureti_et al._2022, title={Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation}, volume={12}, DOI={<a href=\"https://doi.org/10.3390/catal12060675\">10.3390/catal12060675</a>}, number={6675}, journal={Catalysts}, publisher={MDPI AG}, author={Schlicher, Steffen and Prinz, Nils and Bürger, Julius and Omlor, Andreas and Singer, Christian and Zobel, Mirijam and Schoch, Roland and Lindner, Jörg K. N. and Schünemann, Volker and Kureti, Sven and et al.}, year={2022} }","short":"S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).","mla":"Schlicher, Steffen, et al. “Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation.” <i>Catalysts</i>, vol. 12, no. 6, 675, MDPI AG, 2022, doi:<a href=\"https://doi.org/10.3390/catal12060675\">10.3390/catal12060675</a>.","apa":"Schlicher, S., Prinz, N., Bürger, J., Omlor, A., Singer, C., Zobel, M., Schoch, R., Lindner, J. K. N., Schünemann, V., Kureti, S., &#38; Bauer, M. (2022). Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation. <i>Catalysts</i>, <i>12</i>(6), Article 675. <a href=\"https://doi.org/10.3390/catal12060675\">https://doi.org/10.3390/catal12060675</a>"},"intvolume":"        12","publication_status":"published","publication_identifier":{"issn":["2073-4344"]},"doi":"10.3390/catal12060675","date_updated":"2023-08-17T06:57:31Z","author":[{"full_name":"Schlicher, Steffen","last_name":"Schlicher","first_name":"Steffen"},{"first_name":"Nils","last_name":"Prinz","full_name":"Prinz, Nils"},{"id":"46952","full_name":"Bürger, Julius","last_name":"Bürger","first_name":"Julius"},{"first_name":"Andreas","full_name":"Omlor, Andreas","last_name":"Omlor"},{"first_name":"Christian","full_name":"Singer, Christian","last_name":"Singer"},{"last_name":"Zobel","full_name":"Zobel, Mirijam","first_name":"Mirijam"},{"first_name":"Roland","id":"48467","full_name":"Schoch, Roland","last_name":"Schoch","orcid":"0000-0003-2061-7289"},{"last_name":"Lindner","id":"20797","full_name":"Lindner, Jörg K. N.","first_name":"Jörg K. N."},{"full_name":"Schünemann, Volker","last_name":"Schünemann","first_name":"Volker"},{"full_name":"Kureti, Sven","last_name":"Kureti","first_name":"Sven"},{"orcid":"0000-0002-9294-6076","last_name":"Bauer","full_name":"Bauer, Matthias","id":"47241","first_name":"Matthias"}],"volume":12,"abstract":[{"lang":"eng","text":"<The replacement of noble metal catalysts by abundant iron as an active compound in CO oxidation is of ecologic and economic interest. However, improvement of their catalytic performance to the same level as state-of-the-art noble metal catalysts requires an in depth understanding of their working principle on an atomic level. As a contribution to this aim, a series of iron oxide catalysts with varying Fe loadings from 1 to 20 wt% immobilized on a γ-Al2O3 support is presented here, and a multidimensional structure–activity correlation is established. The CO oxidation activity is correlated to structural details obtained by various spectroscopic, diffraction, and microscopic methods, such as PXRD, PDF analysis, DRUVS, Mössbauer spectroscopy, STEM-EDX, and XAS. Low Fe loadings lead to less agglomerated but high percentual amounts of isolated, tetrahedrally coordinated iron oxide species, while the absolute amount of isolated species reaches its maximum at high Fe loadings. Consequently, the highest CO oxidation activity in terms of turnover frequencies can be correlated to small, finely dispersed iron oxide species with a large amount of tetrahedrally oxygen coordinated iron sites, while the overall amount of isolated iron oxide species correlates with a lower light-off temperature."}],"publication":"Catalysts","keyword":["Physical and Theoretical Chemistry","Catalysis","General Environmental Science","Key"],"language":[{"iso":"eng"}],"year":"2022","issue":"6","title":"Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation","publisher":"MDPI AG","date_created":"2023-01-30T16:24:41Z"},{"publication":"Gels","type":"journal_article","status":"public","abstract":[{"text":"<jats:p>There is an increasing interest in sensing applications for a variety of analytes in aqueous environments, as conventional methods do not work reliably under humid conditions or they require complex equipment with experienced operators. Hydrogel sensors are easy to fabricate, are incredibly sensitive, and have broad dynamic ranges. Experiments on their robustness, reliability, and reusability have indicated the possible long-term applications of these systems in a variety of fields, including disease diagnosis, detection of pharmaceuticals, and in environmental testing. It is possible to produce hydrogels, which, upon sensing a specific analyte, can adsorb it onto their 3D-structure and can therefore be used to remove them from a given environment. High specificity can be obtained by using molecularly imprinted polymers. Typical detection principles involve optical methods including fluorescence and chemiluminescence, and volume changes in colloidal photonic crystals, as well as electrochemical methods. Here, we explore the current research utilizing hydrogel-based sensors in three main areas: (1) biomedical applications, (2) for detecting and quantifying pharmaceuticals of interest, and (3) detecting and quantifying environmental contaminants in aqueous environments.</jats:p>","lang":"eng"}],"department":[{"_id":"311"}],"user_id":"62844","_id":"59617","language":[{"iso":"eng"}],"article_number":"768","issue":"12","publication_identifier":{"issn":["2310-2861"]},"quality_controlled":"1","publication_status":"published","intvolume":"         8","citation":{"apa":"Völlmecke, K., Afroz, R., Bierbach, S., Brenker, L. J., Frücht, S., Glass, A., Giebelhaus, R., Hoppe, A., Kanemaru, K., Lazarek, M., Rabbe, L., Song, L., Velasco Suarez, A., Wu, S., Serpe, M., &#38; Kuckling, D. (2022). Hydrogel-Based Biosensors. <i>Gels</i>, <i>8</i>(12), Article 768. <a href=\"https://doi.org/10.3390/gels8120768\">https://doi.org/10.3390/gels8120768</a>","mla":"Völlmecke, Katharina, et al. “Hydrogel-Based Biosensors.” <i>Gels</i>, vol. 8, no. 12, 768, MDPI AG, 2022, doi:<a href=\"https://doi.org/10.3390/gels8120768\">10.3390/gels8120768</a>.","bibtex":"@article{Völlmecke_Afroz_Bierbach_Brenker_Frücht_Glass_Giebelhaus_Hoppe_Kanemaru_Lazarek_et al._2022, title={Hydrogel-Based Biosensors}, volume={8}, DOI={<a href=\"https://doi.org/10.3390/gels8120768\">10.3390/gels8120768</a>}, number={12768}, journal={Gels}, publisher={MDPI AG}, author={Völlmecke, Katharina and Afroz, Rowshon and Bierbach, Sascha and Brenker, Lee Josephine and Frücht, Sebastian and Glass, Alexandra and Giebelhaus, Ryland and Hoppe, Axel and Kanemaru, Karen and Lazarek, Michal and et al.}, year={2022} }","short":"K. Völlmecke, R. Afroz, S. Bierbach, L.J. Brenker, S. Frücht, A. Glass, R. Giebelhaus, A. Hoppe, K. Kanemaru, M. Lazarek, L. Rabbe, L. Song, A. Velasco Suarez, S. Wu, M. Serpe, D. Kuckling, Gels 8 (2022).","ama":"Völlmecke K, Afroz R, Bierbach S, et al. Hydrogel-Based Biosensors. <i>Gels</i>. 2022;8(12). doi:<a href=\"https://doi.org/10.3390/gels8120768\">10.3390/gels8120768</a>","ieee":"K. Völlmecke <i>et al.</i>, “Hydrogel-Based Biosensors,” <i>Gels</i>, vol. 8, no. 12, Art. no. 768, 2022, doi: <a href=\"https://doi.org/10.3390/gels8120768\">10.3390/gels8120768</a>.","chicago":"Völlmecke, Katharina, Rowshon Afroz, Sascha Bierbach, Lee Josephine Brenker, Sebastian Frücht, Alexandra Glass, Ryland Giebelhaus, et al. “Hydrogel-Based Biosensors.” <i>Gels</i> 8, no. 12 (2022). <a href=\"https://doi.org/10.3390/gels8120768\">https://doi.org/10.3390/gels8120768</a>."},"year":"2022","volume":8,"date_created":"2025-04-22T05:59:29Z","author":[{"first_name":"Katharina","last_name":"Völlmecke","full_name":"Völlmecke, Katharina"},{"first_name":"Rowshon","full_name":"Afroz, Rowshon","last_name":"Afroz"},{"last_name":"Bierbach","full_name":"Bierbach, Sascha","first_name":"Sascha"},{"last_name":"Brenker","full_name":"Brenker, Lee Josephine","first_name":"Lee Josephine"},{"last_name":"Frücht","full_name":"Frücht, Sebastian","first_name":"Sebastian"},{"last_name":"Glass","full_name":"Glass, Alexandra","first_name":"Alexandra"},{"first_name":"Ryland","full_name":"Giebelhaus, Ryland","last_name":"Giebelhaus"},{"first_name":"Axel","id":"62844","full_name":"Hoppe, Axel","last_name":"Hoppe"},{"first_name":"Karen","last_name":"Kanemaru","full_name":"Kanemaru, Karen"},{"first_name":"Michal","last_name":"Lazarek","full_name":"Lazarek, Michal"},{"last_name":"Rabbe","full_name":"Rabbe, Lukas","first_name":"Lukas"},{"first_name":"Longfei","full_name":"Song, Longfei","last_name":"Song"},{"first_name":"Andrea","last_name":"Velasco Suarez","full_name":"Velasco Suarez, Andrea"},{"first_name":"Shuang","full_name":"Wu, Shuang","last_name":"Wu"},{"first_name":"Michael","last_name":"Serpe","full_name":"Serpe, Michael"},{"last_name":"Kuckling","id":"287","full_name":"Kuckling, Dirk","first_name":"Dirk"}],"date_updated":"2025-04-22T06:12:07Z","oa":"1","publisher":"MDPI AG","doi":"10.3390/gels8120768","main_file_link":[{"url":"https://www.mdpi.com/2310-2861/8/12/768","open_access":"1"}],"title":"Hydrogel-Based Biosensors"},{"quality_controlled":"1","issue":"18","year":"2022","publisher":"Wiley","date_created":"2025-04-22T06:01:56Z","title":"Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis","publication":"Advanced Synthesis &amp; Catalysis","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>A frustrated Lewis pair‐catalyzed hydroboration of aromatic and aliphatic nitriles was developed. The catalyst provides the primary amines in high yields of 77–99% with catalyst loading as low as 2 mol%. The reaction displays high functional group tolerance towards esters, amides, nitro groups and aliphatic halides. The addition of the diborylated amines to ethyl 3‐phenylpropiolate proceeds with Z‐selectivity with d.r. of &gt;99:1 in 77–90% yield over two steps. The reaction mechanism was investigated by control and computational experiments.</jats:p><jats:p><jats:boxed-text content-type=\"graphic\" position=\"anchor\"><jats:graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" mimetype=\"image/png\" position=\"anchor\" specific-use=\"enlarged-web-image\" xlink:href=\"graphic/adsc202200525-toc-0001-m.png\"><jats:alt-text>magnified image</jats:alt-text></jats:graphic></jats:boxed-text>\r\n</jats:p>"}],"keyword":["hydroboration","nitrile","amine","frustrated Lewis pair","density functional theory"],"language":[{"iso":"eng"}],"publication_identifier":{"issn":["1615-4150","1615-4169"]},"publication_status":"published","intvolume":"       364","page":"3143-3148","citation":{"ama":"Sieland B, Hoppe A, Stepen AJ, Paradies J. Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis. <i>Advanced Synthesis &#38;amp; Catalysis</i>. 2022;364(18):3143-3148. doi:<a href=\"https://doi.org/10.1002/adsc.202200525\">10.1002/adsc.202200525</a>","chicago":"Sieland, Benedikt, Axel Hoppe, Arne J. Stepen, and Jan Paradies. “Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis.” <i>Advanced Synthesis &#38;amp; Catalysis</i> 364, no. 18 (2022): 3143–48. <a href=\"https://doi.org/10.1002/adsc.202200525\">https://doi.org/10.1002/adsc.202200525</a>.","ieee":"B. Sieland, A. Hoppe, A. J. Stepen, and J. Paradies, “Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis,” <i>Advanced Synthesis &#38;amp; Catalysis</i>, vol. 364, no. 18, pp. 3143–3148, 2022, doi: <a href=\"https://doi.org/10.1002/adsc.202200525\">10.1002/adsc.202200525</a>.","bibtex":"@article{Sieland_Hoppe_Stepen_Paradies_2022, title={Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis}, volume={364}, DOI={<a href=\"https://doi.org/10.1002/adsc.202200525\">10.1002/adsc.202200525</a>}, number={18}, journal={Advanced Synthesis &#38;amp; Catalysis}, publisher={Wiley}, author={Sieland, Benedikt and Hoppe, Axel and Stepen, Arne J. and Paradies, Jan}, year={2022}, pages={3143–3148} }","mla":"Sieland, Benedikt, et al. “Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis.” <i>Advanced Synthesis &#38;amp; Catalysis</i>, vol. 364, no. 18, Wiley, 2022, pp. 3143–48, doi:<a href=\"https://doi.org/10.1002/adsc.202200525\">10.1002/adsc.202200525</a>.","short":"B. Sieland, A. Hoppe, A.J. Stepen, J. Paradies, Advanced Synthesis &#38;amp; Catalysis 364 (2022) 3143–3148.","apa":"Sieland, B., Hoppe, A., Stepen, A. J., &#38; Paradies, J. (2022). Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis. <i>Advanced Synthesis &#38;amp; Catalysis</i>, <i>364</i>(18), 3143–3148. <a href=\"https://doi.org/10.1002/adsc.202200525\">https://doi.org/10.1002/adsc.202200525</a>"},"oa":"1","date_updated":"2025-04-22T06:12:05Z","volume":364,"author":[{"full_name":"Sieland, Benedikt","last_name":"Sieland","first_name":"Benedikt"},{"id":"62844","full_name":"Hoppe, Axel","last_name":"Hoppe","first_name":"Axel"},{"first_name":"Arne J.","last_name":"Stepen","full_name":"Stepen, Arne J."},{"first_name":"Jan","orcid":"0000-0002-3698-668X","last_name":"Paradies","full_name":"Paradies, Jan","id":"53339"}],"doi":"10.1002/adsc.202200525","main_file_link":[{"url":"https://advanced.onlinelibrary.wiley.com/doi/10.1002/adsc.202200525","open_access":"1"}],"type":"journal_article","status":"public","_id":"59619","department":[{"_id":"389"}],"user_id":"62844"},{"status":"public","type":"journal_article","article_type":"original","article_number":"2102357","_id":"29790","department":[{"_id":"15"},{"_id":"35"},{"_id":"2"},{"_id":"307"},{"_id":"230"}],"user_id":"23547","intvolume":"         9","citation":{"chicago":"Kothe, Linda, Maximilian Albert, Cedrik Meier, Thorsten Wagner, and Michael Tiemann. “Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors.” <i>Advanced Materials Interfaces</i> 9 (2022). <a href=\"https://doi.org/10.1002/admi.202102357\">https://doi.org/10.1002/admi.202102357</a>.","ieee":"L. Kothe, M. Albert, C. Meier, T. Wagner, and M. Tiemann, “Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors,” <i>Advanced Materials Interfaces</i>, vol. 9, Art. no. 2102357, 2022, doi: <a href=\"https://doi.org/10.1002/admi.202102357\">10.1002/admi.202102357</a>.","short":"L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces 9 (2022).","mla":"Kothe, Linda, et al. “Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors.” <i>Advanced Materials Interfaces</i>, vol. 9, 2102357, Wiley, 2022, doi:<a href=\"https://doi.org/10.1002/admi.202102357\">10.1002/admi.202102357</a>.","bibtex":"@article{Kothe_Albert_Meier_Wagner_Tiemann_2022, title={Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors}, volume={9}, DOI={<a href=\"https://doi.org/10.1002/admi.202102357\">10.1002/admi.202102357</a>}, number={2102357}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Kothe, Linda and Albert, Maximilian and Meier, Cedrik and Wagner, Thorsten and Tiemann, Michael}, year={2022} }","ama":"Kothe L, Albert M, Meier C, Wagner T, Tiemann M. Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors. <i>Advanced Materials Interfaces</i>. 2022;9. doi:<a href=\"https://doi.org/10.1002/admi.202102357\">10.1002/admi.202102357</a>","apa":"Kothe, L., Albert, M., Meier, C., Wagner, T., &#38; Tiemann, M. (2022). Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors. <i>Advanced Materials Interfaces</i>, <i>9</i>, Article 2102357. <a href=\"https://doi.org/10.1002/admi.202102357\">https://doi.org/10.1002/admi.202102357</a>"},"publication_identifier":{"issn":["2196-7350","2196-7350"]},"publication_status":"published","doi":"10.1002/admi.202102357","main_file_link":[{"url":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/admi.202102357","open_access":"1"}],"date_updated":"2025-05-27T07:42:58Z","oa":"1","volume":9,"author":[{"full_name":"Kothe, Linda","last_name":"Kothe","first_name":"Linda"},{"first_name":"Maximilian","full_name":"Albert, Maximilian","last_name":"Albert"},{"id":"20798","full_name":"Meier, Cedrik","orcid":"https://orcid.org/0000-0002-3787-3572","last_name":"Meier","first_name":"Cedrik"},{"first_name":"Thorsten","full_name":"Wagner, Thorsten","last_name":"Wagner"},{"first_name":"Michael","id":"23547","full_name":"Tiemann, Michael","orcid":"0000-0003-1711-2722","last_name":"Tiemann"}],"abstract":[{"lang":"eng","text":"The free exciton transition (near-band-edge emission, NBE) of ZnO at ≈388 nm can be strongly enhanced and even stimulated by an underlying photonic structure. 1D Photonic crystals, so-called distributed Bragg reflectors, are utilized to suppress the deep-level emission of ZnO (DLE, ≈500–530 nm). The reflector stacks are fabricated in a layer-by-layer procedure by wet-chemical synthesis. They consist of low-ε porous SiO2 layers and high-ε TiO2 layers. Varying the thickness of the SiO2 layers allows tuning the optical bandgap in a wide range between ≈420 and 800 nm. A ZnO layer is deposited on top of the reflector stacks by sol–gel synthesis. The spontaneous photoluminescence (PL) emission of the ZnO film is modulated by the photonic structure. When the optical bandgap of the reflector is in resonance with the deep-level emission of ZnO (DLE, ≈500–530 nm), then this defect-related emission mode is suppressed. Strong NBE emission is observed even when the ZnO layer does not show any NBE emission (due to low crystallinity) in the absence of the photonic structure. With this cost-efficient synthesis method, emitters for, e.g., luminescent gas sensors can be fabricated."}],"publication":"Advanced Materials Interfaces","keyword":["Mechanical Engineering","Mechanics of Materials"],"language":[{"iso":"eng"}],"year":"2022","quality_controlled":"1","title":"Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors","publisher":"Wiley","date_created":"2022-02-08T15:24:58Z"},{"status":"public","publication":"Progress in Organic Coatings","type":"journal_article","article_number":"106977","language":[{"iso":"eng"}],"_id":"58571","department":[{"_id":"321"},{"_id":"35"},{"_id":"301"}],"user_id":"495","year":"2022","intvolume":"       170","citation":{"ama":"Dogan D, Ruthmann S, Seewald O, Bremser W. Tuning of antifouling active PDMS domains tethered to epoxy/amine surface. <i>Progress in Organic Coatings</i>. 2022;170. doi:<a href=\"https://doi.org/10.1016/j.porgcoat.2022.106977\">10.1016/j.porgcoat.2022.106977</a>","chicago":"Dogan, Deniz, Simon Ruthmann, Oliver Seewald, and Wolfgang Bremser. “Tuning of Antifouling Active PDMS Domains Tethered to Epoxy/Amine Surface.” <i>Progress in Organic Coatings</i> 170 (2022). <a href=\"https://doi.org/10.1016/j.porgcoat.2022.106977\">https://doi.org/10.1016/j.porgcoat.2022.106977</a>.","ieee":"D. Dogan, S. Ruthmann, O. Seewald, and W. Bremser, “Tuning of antifouling active PDMS domains tethered to epoxy/amine surface,” <i>Progress in Organic Coatings</i>, vol. 170, Art. no. 106977, 2022, doi: <a href=\"https://doi.org/10.1016/j.porgcoat.2022.106977\">10.1016/j.porgcoat.2022.106977</a>.","apa":"Dogan, D., Ruthmann, S., Seewald, O., &#38; Bremser, W. (2022). Tuning of antifouling active PDMS domains tethered to epoxy/amine surface. <i>Progress in Organic Coatings</i>, <i>170</i>, Article 106977. <a href=\"https://doi.org/10.1016/j.porgcoat.2022.106977\">https://doi.org/10.1016/j.porgcoat.2022.106977</a>","bibtex":"@article{Dogan_Ruthmann_Seewald_Bremser_2022, title={Tuning of antifouling active PDMS domains tethered to epoxy/amine surface}, volume={170}, DOI={<a href=\"https://doi.org/10.1016/j.porgcoat.2022.106977\">10.1016/j.porgcoat.2022.106977</a>}, number={106977}, journal={Progress in Organic Coatings}, publisher={Elsevier BV}, author={Dogan, Deniz and Ruthmann, Simon and Seewald, Oliver and Bremser, Wolfgang}, year={2022} }","short":"D. Dogan, S. Ruthmann, O. Seewald, W. 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