[{"main_file_link":[{"url":"https://dl.acm.org/doi/10.1145/3748173.3779198"}],"doi":"10.1145/3748173.3779198","author":[{"full_name":"Stachura, Philip","last_name":"Stachura","first_name":"Philip"},{"last_name":"Wu","full_name":"Wu, Xin","id":"77439","first_name":"Xin"},{"first_name":"Christian","orcid":"0000-0001-5728-9982","last_name":"Plessl","full_name":"Plessl, Christian","id":"16153"},{"full_name":"Fang, Zhenman","last_name":"Fang","first_name":"Zhenman"}],"date_updated":"2026-02-09T09:16:32Z","citation":{"bibtex":"@inproceedings{Stachura_Wu_Plessl_Fang_2026, place={New York, NY, USA}, title={SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry}, DOI={<a href=\"https://doi.org/10.1145/3748173.3779198\">10.1145/3748173.3779198</a>}, booktitle={Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26)}, publisher={Association for Computing Machinery}, author={Stachura, Philip and Wu, Xin and Plessl, Christian and Fang, Zhenman}, year={2026}, pages={224–234} }","mla":"Stachura, Philip, et al. “SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry.” <i>Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26)</i>, Association for Computing Machinery, 2026, pp. 224–34, doi:<a href=\"https://doi.org/10.1145/3748173.3779198\">10.1145/3748173.3779198</a>.","short":"P. Stachura, X. Wu, C. Plessl, Z. Fang, in: Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26), Association for Computing Machinery, New York, NY, USA, 2026, pp. 224–234.","apa":"Stachura, P., Wu, X., Plessl, C., &#38; Fang, Z. (2026). SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry. <i>Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26)</i>, 224–234. <a href=\"https://doi.org/10.1145/3748173.3779198\">https://doi.org/10.1145/3748173.3779198</a>","ama":"Stachura P, Wu X, Plessl C, Fang Z. SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry. In: <i>Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26)</i>. Association for Computing Machinery; 2026:224-234. doi:<a href=\"https://doi.org/10.1145/3748173.3779198\">10.1145/3748173.3779198</a>","chicago":"Stachura, Philip, Xin Wu, Christian Plessl, and Zhenman Fang. “SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry.” In <i>Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26)</i>, 224–34. New York, NY, USA: Association for Computing Machinery, 2026. <a href=\"https://doi.org/10.1145/3748173.3779198\">https://doi.org/10.1145/3748173.3779198</a>.","ieee":"P. Stachura, X. Wu, C. Plessl, and Z. Fang, “SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry,” in <i>Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26)</i>, 2026, pp. 224–234, doi: <a href=\"https://doi.org/10.1145/3748173.3779198\">10.1145/3748173.3779198</a>."},"page":"224-234","place":"New York, NY, USA","publication_status":"published","publication_identifier":{"isbn":["9798400720796"]},"user_id":"77439","department":[{"_id":"27"},{"_id":"518"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"63890","status":"public","type":"conference","title":"SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry","date_created":"2026-02-06T06:43:22Z","publisher":"Association for Computing Machinery","year":"2026","language":[{"iso":"eng"}],"keyword":["electron repulsion integrals","quantum chemistry","atomistic simulation","overlay architecture","fpga acceleration"],"abstract":[{"lang":"eng","text":"The computation of highly contracted electron repulsion integrals (ERIs) is essential to achieve quantum accuracy in atomistic simulations based on quantum mechanics. Its growing computational demands make energy efficiency a critical concern. Recent studies demonstrate FPGAs’ superior performance and energy efficiency for computing primitive ERIs, but the computation of highly contracted ERIs introduces significant algorithmic complexity and new design challenges for FPGA acceleration.In this work, we present SORCERI, the first streaming overlay acceleration for highly contracted ERI computations on FPGAs. SORCERI introduces a novel streaming Rys computing unit to calculate roots and weights of Rys polynomials on-chip, and a streaming contraction unit for the contraction of primitive ERIs. This shifts the design bottleneck from limited CPU-FPGA communication bandwidth to available FPGA computation resources. To address practical deployment challenges for a large number of quartet classes, we design three streaming overlays, together with an efficient memory transpose optimization, to cover the 21 most commonly used quartet classes in realistic atomistic simulations. To address the new computation constraints, we use flexible calculation stages with a free-running streaming architecture to achieve high DSP utilization and good timing closure.Experiments demonstrate that SORCERI achieves an average 5.96x, 1.99x, and 1.16x better performance per watt than libint on a 64-core AMD EPYC 7713 CPU, libintx on an Nvidia A40 GPU, and SERI, the prior best-performing FPGA design for primitive ERIs. Furthermore, SORCERI reaches a peak throughput of 44.11 GERIS (109 ERIs per second) that is 1.52x, 1.13x, and 1.93x greater than libint, libintx and SERI, respectively. SORCERI will be released soon at https://github.com/SFU-HiAccel/SORCERI."}],"publication":"Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA '26)"},{"publisher":"MDPI AG","date_created":"2025-04-11T07:12:02Z","title":"Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a Catalyst","issue":"4","year":"2025","keyword":["flow chemistry","heterogeneous catalysis","sustainable synthesis","organo-catalysis","polymeric gel dots"],"language":[{"iso":"eng"}],"publication":"Gels","abstract":[{"lang":"eng","text":"<jats:p>The use of organo-catalysis in continuous-flow reactor systems is gaining attention in medicinal chemistry due to its cost-effectiveness and reduced chemical waste. In this study, bioactive curcumin (CUM) derivatives were synthesized in a continuously operated microfluidic reactor (MFR), using piperidine-based polymeric networks as catalysts. Piperidine methacrylate and piperidine acrylate were synthesized and subsequently copolymerized with complementary monomers (MMA or DMAA) and crosslinkers (EGDMA or MBAM) via photopolymerization, yielding different polymeric networks. Initially, batch reactions were optimized for the organo-catalytic Knoevenagel condensation between CUM and 4-nitrobenzaldehyde, under various conditions, in the presence of polymer networks. Conversion was assessed using offline 1H NMR spectroscopy, revealing an increase in conversion with enhanced swelling properties of the polymer networks, which facilitated greater accessibility of catalytic sites. In continuous-flow MFR experiments, optimized polymer gel dots exhibited superior catalytic performance, achieving a conversion of up to 72%, compared to other compositions. This improvement was attributed to the enhanced swelling in the reaction mixture (DMSO/methanol, 7:3 v/v) at 40 °C over 72 h. Furthermore, the MFR system enabled the efficient synthesis of a series of CUM derivatives, demonstrating significantly higher conversion rates than traditional batch reactions. Notably, while batch reactions required 90% catalyst loading in the gel, the MFR system achieved a comparable or superior performance with only 50% catalyst, resulting in a higher turnover number. These findings underscore the advantages of continuous-flow organo-catalysis in enhancing catalytic efficiency and sustainability in organic synthesis.</jats:p>"}],"date_updated":"2025-04-11T07:13:26Z","volume":11,"author":[{"first_name":"Naresh","last_name":"Killi","full_name":"Killi, Naresh"},{"first_name":"Katja","full_name":"Rumpke, Katja","last_name":"Rumpke"},{"first_name":"Dirk","last_name":"Kuckling","id":"287","full_name":"Kuckling, Dirk"}],"doi":"10.3390/gels11040278","main_file_link":[{"url":"https://www.mdpi.com/2310-2861/11/4/278"}],"publication_identifier":{"issn":["2310-2861"]},"publication_status":"published","intvolume":"        11","citation":{"ama":"Killi N, Rumpke K, Kuckling D. Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a Catalyst. <i>Gels</i>. 2025;11(4). doi:<a href=\"https://doi.org/10.3390/gels11040278\">10.3390/gels11040278</a>","chicago":"Killi, Naresh, Katja Rumpke, and Dirk Kuckling. “Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a Catalyst.” <i>Gels</i> 11, no. 4 (2025). <a href=\"https://doi.org/10.3390/gels11040278\">https://doi.org/10.3390/gels11040278</a>.","ieee":"N. Killi, K. Rumpke, and D. Kuckling, “Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a Catalyst,” <i>Gels</i>, vol. 11, no. 4, Art. no. 278, 2025, doi: <a href=\"https://doi.org/10.3390/gels11040278\">10.3390/gels11040278</a>.","apa":"Killi, N., Rumpke, K., &#38; Kuckling, D. (2025). Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a Catalyst. <i>Gels</i>, <i>11</i>(4), Article 278. <a href=\"https://doi.org/10.3390/gels11040278\">https://doi.org/10.3390/gels11040278</a>","short":"N. Killi, K. Rumpke, D. Kuckling, Gels 11 (2025).","mla":"Killi, Naresh, et al. “Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a Catalyst.” <i>Gels</i>, vol. 11, no. 4, 278, MDPI AG, 2025, doi:<a href=\"https://doi.org/10.3390/gels11040278\">10.3390/gels11040278</a>.","bibtex":"@article{Killi_Rumpke_Kuckling_2025, title={Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a Catalyst}, volume={11}, DOI={<a href=\"https://doi.org/10.3390/gels11040278\">10.3390/gels11040278</a>}, number={4278}, journal={Gels}, publisher={MDPI AG}, author={Killi, Naresh and Rumpke, Katja and Kuckling, Dirk}, year={2025} }"},"_id":"59510","department":[{"_id":"163"}],"user_id":"94","article_number":"278","type":"journal_article","status":"public"},{"department":[{"_id":"386"},{"_id":"33"}],"user_id":"54823","_id":"62920","language":[{"iso":"eng"}],"keyword":["Artificial intelligence","education","chemistry"],"publication":"GDCP Jahrestagung","type":"conference_abstract","status":"public","date_created":"2025-12-05T12:53:09Z","author":[{"last_name":"Fox","full_name":"Fox, Marvin Lee","id":"80773","first_name":"Marvin Lee"},{"first_name":"Hendrik","full_name":"Peeters, Hendrik","id":"49942","orcid":"https://orcid.org/ 0000-0002-7143-3781","last_name":"Peeters"},{"orcid":"0000-0001-5645-5870","last_name":"Fechner","id":"54823","full_name":"Fechner, Sabine","first_name":"Sabine"}],"date_updated":"2025-12-05T13:05:59Z","conference":{"end_date":"2025-09-11","location":"Frankfurt","name":"GDCP Jahrestagung","start_date":"2025-09-08"},"title":"KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess - ein Review","citation":{"ama":"Fox ML, Peeters H, Fechner S. KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess - ein Review. In: <i>GDCP Jahrestagung</i>. ; 2025.","chicago":"Fox, Marvin Lee, Hendrik Peeters, and Sabine Fechner. “KI-Einsatz Durch Lernende Im Erkenntnisgewinnungsprozess - Ein Review.” In <i>GDCP Jahrestagung</i>, 2025.","ieee":"M. L. Fox, H. Peeters, and S. Fechner, “KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess - ein Review,” presented at the GDCP Jahrestagung, Frankfurt, 2025.","mla":"Fox, Marvin Lee, et al. “KI-Einsatz Durch Lernende Im Erkenntnisgewinnungsprozess - Ein Review.” <i>GDCP Jahrestagung</i>, 2025.","bibtex":"@inproceedings{Fox_Peeters_Fechner_2025, title={KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess - ein Review}, booktitle={GDCP Jahrestagung}, author={Fox, Marvin Lee and Peeters, Hendrik and Fechner, Sabine}, year={2025} }","short":"M.L. Fox, H. Peeters, S. Fechner, in: GDCP Jahrestagung, 2025.","apa":"Fox, M. L., Peeters, H., &#38; Fechner, S. (2025). KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess - ein Review. <i>GDCP Jahrestagung</i>. GDCP Jahrestagung, Frankfurt."},"year":"2025"},{"quality_controlled":"1","citation":{"apa":"Fox, M. L., Peeters, H., &#38; Fechner, S. (2025). How can students be supported by ChatGPT as a tutor in hands-on chemistry education? <i>Conference of The European Science Education Research Association (ESERA)</i>. ESERA conference, Copenhagen, Denmark.","short":"M.L. Fox, H. Peeters, S. Fechner, in: Conference of The European Science Education Research Association (ESERA), 2025.","mla":"Fox, Marvin Lee, et al. “How Can Students Be Supported by ChatGPT as a Tutor in Hands-on Chemistry Education?” <i>Conference of The European Science Education Research Association (ESERA)</i>, 2025.","bibtex":"@inproceedings{Fox_Peeters_Fechner_2025, title={How can students be supported by ChatGPT as a tutor in hands-on chemistry education?}, booktitle={Conference of The European Science Education Research Association (ESERA)}, author={Fox, Marvin Lee and Peeters, Hendrik and Fechner, Sabine}, year={2025} }","ieee":"M. L. Fox, H. Peeters, and S. Fechner, “How can students be supported by ChatGPT as a tutor in hands-on chemistry education?,” presented at the ESERA conference, Copenhagen, Denmark, 2025.","chicago":"Fox, Marvin Lee, Hendrik Peeters, and Sabine Fechner. “How Can Students Be Supported by ChatGPT as a Tutor in Hands-on Chemistry Education?” In <i>Conference of The European Science Education Research Association (ESERA)</i>, 2025.","ama":"Fox ML, Peeters H, Fechner S. How can students be supported by ChatGPT as a tutor in hands-on chemistry education? In: <i>Conference of The European Science Education Research Association (ESERA)</i>. ; 2025."},"year":"2025","author":[{"first_name":"Marvin Lee","last_name":"Fox","id":"80773","full_name":"Fox, Marvin Lee"},{"id":"49942","full_name":"Peeters, Hendrik","last_name":"Peeters","orcid":"https://orcid.org/ 0000-0002-7143-3781","first_name":"Hendrik"},{"full_name":"Fechner, Sabine","id":"54823","orcid":"0000-0001-5645-5870","last_name":"Fechner","first_name":"Sabine"}],"date_created":"2025-12-05T12:57:51Z","date_updated":"2025-12-13T23:54:59Z","conference":{"name":"ESERA conference","start_date":"2025-09-25","end_date":"2025-09-29","location":"Copenhagen, Denmark"},"title":"How can students be supported by ChatGPT as a tutor in hands-on chemistry education?","type":"conference_abstract","publication":"Conference of The European Science Education Research Association (ESERA)","status":"public","user_id":"54823","department":[{"_id":"386"},{"_id":"33"}],"_id":"62921","language":[{"iso":"eng"}],"keyword":["Artificial intelligence","education","chemistry"]},{"type":"journal_article","publication":"ChemBioChem","status":"public","abstract":[{"text":"<jats:p>DNA origami nanostructures are a powerful tool in biomedicine and can be used to combat drug‐resistant bacterial infections. However, the effect of unmodified DNA origami nanostructures on bacteria is yet to be elucidated. With the aim to obtain a better understanding of this phenomenon, the effect of three DNA origami shapes, i.e., DNA origami triangles, six‐helix bundles (6HBs), and 24‐helix bundles (24HBs), on the growth of Gram‐negative Escherichia coli and Gram‐positive Bacillus subtilis is investigated. These results reveal that while triangles and 24HBs can be used as a source of nutrients by E. coli and thereby promote population growth, their effect is much smaller than that of genomic single‐ and double‐stranded DNA. However, no effect on E. coli population growth is observed for the 6HBs. On the other hand, B. subtilis does not show any significant changes in population growth when cultured with the different DNA origami shapes or genomic DNA. The detailed effect of DNA origami nanostructures on bacterial growth thus depends on the competence signals and uptake mechanism of each bacterial species, as well as the DNA origami shape. This should be considered in the development of antimicrobial DNA origami nanostructures.</jats:p>","lang":"eng"}],"user_id":"48864","department":[{"_id":"302"}],"_id":"51121","language":[{"iso":"eng"}],"keyword":["Organic Chemistry","Molecular Biology","Molecular Medicine","Biochemistry"],"publication_status":"published","publication_identifier":{"issn":["1439-4227","1439-7633"]},"citation":{"bibtex":"@article{Garcia-Diosa_Grundmeier_Keller_2024, title={Effect of DNA Origami Nanostructures on Bacterial Growth}, DOI={<a href=\"https://doi.org/10.1002/cbic.202400091\">10.1002/cbic.202400091</a>}, journal={ChemBioChem}, publisher={Wiley}, author={Garcia-Diosa, Jaime Andres and Grundmeier, Guido and Keller, Adrian}, year={2024} }","mla":"Garcia-Diosa, Jaime Andres, et al. “Effect of DNA Origami Nanostructures on Bacterial Growth.” <i>ChemBioChem</i>, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/cbic.202400091\">10.1002/cbic.202400091</a>.","short":"J.A. Garcia-Diosa, G. Grundmeier, A. Keller, ChemBioChem (2024).","apa":"Garcia-Diosa, J. A., Grundmeier, G., &#38; Keller, A. (2024). Effect of DNA Origami Nanostructures on Bacterial Growth. <i>ChemBioChem</i>. <a href=\"https://doi.org/10.1002/cbic.202400091\">https://doi.org/10.1002/cbic.202400091</a>","ama":"Garcia-Diosa JA, Grundmeier G, Keller A. Effect of DNA Origami Nanostructures on Bacterial Growth. <i>ChemBioChem</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1002/cbic.202400091\">10.1002/cbic.202400091</a>","ieee":"J. A. Garcia-Diosa, G. Grundmeier, and A. Keller, “Effect of DNA Origami Nanostructures on Bacterial Growth,” <i>ChemBioChem</i>, 2024, doi: <a href=\"https://doi.org/10.1002/cbic.202400091\">10.1002/cbic.202400091</a>.","chicago":"Garcia-Diosa, Jaime Andres, Guido Grundmeier, and Adrian Keller. “Effect of DNA Origami Nanostructures on Bacterial Growth.” <i>ChemBioChem</i>, 2024. <a href=\"https://doi.org/10.1002/cbic.202400091\">https://doi.org/10.1002/cbic.202400091</a>."},"year":"2024","author":[{"full_name":"Garcia-Diosa, Jaime Andres","last_name":"Garcia-Diosa","first_name":"Jaime Andres"},{"first_name":"Guido","last_name":"Grundmeier","id":"194","full_name":"Grundmeier, Guido"},{"id":"48864","full_name":"Keller, Adrian","orcid":"0000-0001-7139-3110","last_name":"Keller","first_name":"Adrian"}],"date_created":"2024-02-03T12:41:16Z","date_updated":"2024-02-03T12:42:48Z","publisher":"Wiley","doi":"10.1002/cbic.202400091","title":"Effect of DNA Origami Nanostructures on Bacterial Growth"},{"status":"public","abstract":[{"text":"<jats:p>Charge transfer mechanism in the deprotonation-induced n-type doping of PCBM.</jats:p>","lang":"eng"}],"publication":"Physical Chemistry Chemical Physics","type":"journal_article","language":[{"iso":"eng"}],"keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"department":[{"_id":"35"},{"_id":"15"}],"user_id":"61389","_id":"51221","page":"4194-4199","intvolume":"        26","citation":{"apa":"Dong, C.-D., Bauch, F., Hu, Y., &#38; Schumacher, S. (2024). Charge transfer in superbase n-type doping of PCBM induced by deprotonation. <i>Physical Chemistry Chemical Physics</i>, <i>26</i>(5), 4194–4199. <a href=\"https://doi.org/10.1039/d3cp05105f\">https://doi.org/10.1039/d3cp05105f</a>","mla":"Dong, Chuan-Ding, et al. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” <i>Physical Chemistry Chemical Physics</i>, vol. 26, no. 5, Royal Society of Chemistry (RSC), 2024, pp. 4194–99, doi:<a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>.","short":"C.-D. Dong, F. Bauch, Y. Hu, S. Schumacher, Physical Chemistry Chemical Physics 26 (2024) 4194–4199.","bibtex":"@article{Dong_Bauch_Hu_Schumacher_2024, title={Charge transfer in superbase n-type doping of PCBM induced by deprotonation}, volume={26}, DOI={<a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>}, number={5}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Bauch, Fabian and Hu, Yuanyuan and Schumacher, Stefan}, year={2024}, pages={4194–4199} }","ieee":"C.-D. Dong, F. Bauch, Y. Hu, and S. Schumacher, “Charge transfer in superbase n-type doping of PCBM induced by deprotonation,” <i>Physical Chemistry Chemical Physics</i>, vol. 26, no. 5, pp. 4194–4199, 2024, doi: <a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>.","chicago":"Dong, Chuan-Ding, Fabian Bauch, Yuanyuan Hu, and Stefan Schumacher. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” <i>Physical Chemistry Chemical Physics</i> 26, no. 5 (2024): 4194–99. <a href=\"https://doi.org/10.1039/d3cp05105f\">https://doi.org/10.1039/d3cp05105f</a>.","ama":"Dong C-D, Bauch F, Hu Y, Schumacher S. Charge transfer in superbase n-type doping of PCBM induced by deprotonation. <i>Physical Chemistry Chemical Physics</i>. 2024;26(5):4194-4199. doi:<a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>"},"year":"2024","issue":"5","publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published","doi":"10.1039/d3cp05105f","title":"Charge transfer in superbase n-type doping of PCBM induced by deprotonation","volume":26,"date_created":"2024-02-07T14:15:44Z","author":[{"full_name":"Dong, Chuan-Ding","id":"67188","last_name":"Dong","first_name":"Chuan-Ding"},{"first_name":"Fabian","full_name":"Bauch, Fabian","id":"61389","last_name":"Bauch","orcid":"0009-0008-6279-077X"},{"first_name":"Yuanyuan","full_name":"Hu, Yuanyuan","last_name":"Hu"},{"full_name":"Schumacher, Stefan","id":"27271","last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan"}],"publisher":"Royal Society of Chemistry (RSC)","date_updated":"2024-02-07T14:35:55Z"},{"_id":"52097","department":[{"_id":"9"},{"_id":"145"}],"user_id":"22006","keyword":["General Chemical Engineering","General Chemistry"],"language":[{"iso":"eng"}],"publication":"Journal of Chemical & Engineering Data","type":"journal_article","status":"public","publisher":"American Chemical Society (ACS)","date_updated":"2024-03-08T09:08:37Z","author":[{"first_name":"Iman","last_name":"Hami Dindar","full_name":"Hami Dindar, Iman","id":"54836"},{"first_name":"Mona","last_name":"Mirzaei","full_name":"Mirzaei, Mona"},{"first_name":"Elmar","full_name":"Baumhögger, Elmar","id":"15164","last_name":"Baumhögger"},{"first_name":"Nicole","orcid":"0009-0006-7828-8448","last_name":"Lutters","id":"22006","full_name":"Lutters, Nicole"},{"first_name":"Eugeny Y.","full_name":"Kenig, Eugeny Y.","id":"665","last_name":"Kenig"}],"date_created":"2024-02-27T11:00:37Z","title":"Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data","doi":"10.1021/acs.jced.3c00554","quality_controlled":"1","publication_identifier":{"issn":["0021-9568","1520-5134"]},"publication_status":"published","year":"2024","citation":{"bibtex":"@article{Hami Dindar_Mirzaei_Baumhögger_Lutters_Kenig_2024, title={Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data}, DOI={<a href=\"https://doi.org/10.1021/acs.jced.3c00554\">10.1021/acs.jced.3c00554</a>}, journal={Journal of Chemical &#38; Engineering Data}, publisher={American Chemical Society (ACS)}, author={Hami Dindar, Iman and Mirzaei, Mona and Baumhögger, Elmar and Lutters, Nicole and Kenig, Eugeny Y.}, year={2024} }","mla":"Hami Dindar, Iman, et al. “Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data.” <i>Journal of Chemical &#38; Engineering Data</i>, American Chemical Society (ACS), 2024, doi:<a href=\"https://doi.org/10.1021/acs.jced.3c00554\">10.1021/acs.jced.3c00554</a>.","short":"I. Hami Dindar, M. Mirzaei, E. Baumhögger, N. Lutters, E.Y. Kenig, Journal of Chemical &#38; Engineering Data (2024).","apa":"Hami Dindar, I., Mirzaei, M., Baumhögger, E., Lutters, N., &#38; Kenig, E. Y. (2024). Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data. <i>Journal of Chemical &#38; Engineering Data</i>. <a href=\"https://doi.org/10.1021/acs.jced.3c00554\">https://doi.org/10.1021/acs.jced.3c00554</a>","chicago":"Hami Dindar, Iman, Mona Mirzaei, Elmar Baumhögger, Nicole Lutters, and Eugeny Y. Kenig. “Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data.” <i>Journal of Chemical &#38; Engineering Data</i>, 2024. <a href=\"https://doi.org/10.1021/acs.jced.3c00554\">https://doi.org/10.1021/acs.jced.3c00554</a>.","ieee":"I. Hami Dindar, M. Mirzaei, E. Baumhögger, N. Lutters, and E. Y. Kenig, “Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data,” <i>Journal of Chemical &#38; Engineering Data</i>, 2024, doi: <a href=\"https://doi.org/10.1021/acs.jced.3c00554\">10.1021/acs.jced.3c00554</a>.","ama":"Hami Dindar I, Mirzaei M, Baumhögger E, Lutters N, Kenig EY. Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data. <i>Journal of Chemical &#38; Engineering Data</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1021/acs.jced.3c00554\">10.1021/acs.jced.3c00554</a>"}},{"title":"Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation","doi":"10.1021/acs.iecr.3c03262","publisher":"American Chemical Society (ACS)","date_updated":"2024-03-08T09:10:16Z","date_created":"2024-03-01T09:36:20Z","author":[{"last_name":"Weber","full_name":"Weber, Mike","id":"72973","first_name":"Mike"},{"full_name":"Lutters, Nicole","id":"22006","last_name":"Lutters","orcid":"0009-0006-7828-8448","first_name":"Nicole"},{"first_name":"Eugeny Y.","last_name":"Kenig","full_name":"Kenig, Eugeny Y.","id":"665"}],"year":"2024","citation":{"apa":"Weber, M., Lutters, N., &#38; Kenig, E. Y. (2024). Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation. <i>Industrial &#38;amp; Engineering Chemistry Research</i>. <a href=\"https://doi.org/10.1021/acs.iecr.3c03262\">https://doi.org/10.1021/acs.iecr.3c03262</a>","mla":"Weber, Mike, et al. “Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation.” <i>Industrial &#38;amp; Engineering Chemistry Research</i>, American Chemical Society (ACS), 2024, doi:<a href=\"https://doi.org/10.1021/acs.iecr.3c03262\">10.1021/acs.iecr.3c03262</a>.","bibtex":"@article{Weber_Lutters_Kenig_2024, title={Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation}, DOI={<a href=\"https://doi.org/10.1021/acs.iecr.3c03262\">10.1021/acs.iecr.3c03262</a>}, journal={Industrial &#38;amp; Engineering Chemistry Research}, publisher={American Chemical Society (ACS)}, author={Weber, Mike and Lutters, Nicole and Kenig, Eugeny Y.}, year={2024} }","short":"M. Weber, N. Lutters, E.Y. Kenig, Industrial &#38;amp; Engineering Chemistry Research (2024).","ama":"Weber M, Lutters N, Kenig EY. Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation. <i>Industrial &#38;amp; Engineering Chemistry Research</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1021/acs.iecr.3c03262\">10.1021/acs.iecr.3c03262</a>","ieee":"M. Weber, N. Lutters, and E. Y. Kenig, “Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation,” <i>Industrial &#38;amp; Engineering Chemistry Research</i>, 2024, doi: <a href=\"https://doi.org/10.1021/acs.iecr.3c03262\">10.1021/acs.iecr.3c03262</a>.","chicago":"Weber, Mike, Nicole Lutters, and Eugeny Y. Kenig. “Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation.” <i>Industrial &#38;amp; Engineering Chemistry Research</i>, 2024. <a href=\"https://doi.org/10.1021/acs.iecr.3c03262\">https://doi.org/10.1021/acs.iecr.3c03262</a>."},"publication_status":"published","quality_controlled":"1","publication_identifier":{"issn":["0888-5885","1520-5045"]},"keyword":["Industrial and Manufacturing Engineering","General Chemical Engineering","General Chemistry"],"language":[{"iso":"eng"}],"_id":"52226","user_id":"22006","department":[{"_id":"9"},{"_id":"145"}],"status":"public","type":"journal_article","publication":"Industrial &amp; Engineering Chemistry Research"},{"intvolume":"        27","citation":{"chicago":"Peschtrich, Sebastian, Roland Schoch, Dirk Kuckling, and Jan Paradies. “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes.” <i>European Journal of Organic Chemistry</i> 27, no. 8 (2024). <a href=\"https://doi.org/10.1002/ejoc.202301207\">https://doi.org/10.1002/ejoc.202301207</a>.","ieee":"S. Peschtrich, R. Schoch, D. Kuckling, and J. Paradies, “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes,” <i>European Journal of Organic Chemistry</i>, vol. 27, no. 8, 2024, doi: <a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>.","ama":"Peschtrich S, Schoch R, Kuckling D, Paradies J. A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes. <i>European Journal of Organic Chemistry</i>. 2024;27(8). doi:<a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>","apa":"Peschtrich, S., Schoch, R., Kuckling, D., &#38; Paradies, J. (2024). A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes. <i>European Journal of Organic Chemistry</i>, <i>27</i>(8). <a href=\"https://doi.org/10.1002/ejoc.202301207\">https://doi.org/10.1002/ejoc.202301207</a>","short":"S. Peschtrich, R. Schoch, D. Kuckling, J. Paradies, European Journal of Organic Chemistry 27 (2024).","mla":"Peschtrich, Sebastian, et al. “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes.” <i>European Journal of Organic Chemistry</i>, vol. 27, no. 8, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>.","bibtex":"@article{Peschtrich_Schoch_Kuckling_Paradies_2024, title={A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes}, volume={27}, DOI={<a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>}, number={8}, journal={European Journal of Organic Chemistry}, publisher={Wiley}, author={Peschtrich, Sebastian and Schoch, Roland and Kuckling, Dirk and Paradies, Jan}, year={2024} }"},"year":"2024","issue":"8","publication_identifier":{"issn":["1434-193X","1099-0690"]},"publication_status":"published","doi":"10.1002/ejoc.202301207","title":"A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes","volume":27,"date_created":"2024-03-13T17:15:14Z","author":[{"first_name":"Sebastian","last_name":"Peschtrich","full_name":"Peschtrich, Sebastian"},{"orcid":"0000-0003-2061-7289","last_name":"Schoch","id":"48467","full_name":"Schoch, Roland","first_name":"Roland"},{"first_name":"Dirk","last_name":"Kuckling","id":"287","full_name":"Kuckling, Dirk"},{"first_name":"Jan","orcid":"0000-0002-3698-668X","last_name":"Paradies","id":"53339","full_name":"Paradies, Jan"}],"publisher":"Wiley","date_updated":"2024-03-13T17:17:37Z","status":"public","abstract":[{"text":"<jats:title>Abstract</jats:title><jats:p>We conducted an investigation into the palladium‐catalyzed carbon‐sulfur cross‐coupling reaction involving a 2‐bromothiophene derivative and potassium thioacetate as a substitute for hydrogen sulfide. This investigation utilized kinetic and computational methods. We synthesized two palladium complexes supported by the bisphosphane ligands bis(diphenylphosphino)ferrocene (DPPF) and bis(diisopropylphosphino)ferrocene (D<jats:italic>i</jats:italic>PPF), as well as their tentative intermediates in the catalytic cycle. Reaction rates were measured and then compared to computational predictions.</jats:p>","lang":"eng"}],"publication":"European Journal of Organic Chemistry","type":"journal_article","language":[{"iso":"eng"}],"keyword":["Organic Chemistry","Physical and Theoretical Chemistry"],"department":[{"_id":"2"},{"_id":"389"}],"user_id":"53339","_id":"52541"},{"status":"public","abstract":[{"text":"<jats:p>A series of substituted ferrocenyl boron derivatives was synthesized. The oxidation of the ferrocenyl unit resulted in a significant increase of the boron‐centered Lewis acidity. The neutral and cationic Lewis acids were characterized by NMR‐spectroscopy, crystal structure analysis and by computational methods. The new Lewis acids were then applied in the Meinwald rearrangement of epoxides, predominantly furnishing aldehydes as the kinetic products.</jats:p>","lang":"eng"}],"publication":"European Journal of Inorganic Chemistry","type":"journal_article","language":[{"iso":"eng"}],"keyword":["Inorganic Chemistry"],"department":[{"_id":"2"},{"_id":"389"}],"user_id":"53339","_id":"52572","citation":{"mla":"Köring, Laura, et al. “Synthesis of Ferrocenyl Boranes and Their Application as Lewis Acids in Epoxide Rearrangements.” <i>European Journal of Inorganic Chemistry</i>, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/ejic.202400057\">10.1002/ejic.202400057</a>.","bibtex":"@article{Köring_Birenheide_Krämer_Wenzel_Schoch_Brehm_Breher_Paradies_2024, title={Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide Rearrangements}, DOI={<a href=\"https://doi.org/10.1002/ejic.202400057\">10.1002/ejic.202400057</a>}, journal={European Journal of Inorganic Chemistry}, publisher={Wiley}, author={Köring, Laura and Birenheide, Bernhard and Krämer, Felix and Wenzel, Jonas O. and Schoch, Roland and Brehm, Martin and Breher, Frank and Paradies, Jan}, year={2024} }","short":"L. Köring, B. Birenheide, F. Krämer, J.O. Wenzel, R. Schoch, M. Brehm, F. Breher, J. Paradies, European Journal of Inorganic Chemistry (2024).","apa":"Köring, L., Birenheide, B., Krämer, F., Wenzel, J. O., Schoch, R., Brehm, M., Breher, F., &#38; Paradies, J. (2024). Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide Rearrangements. <i>European Journal of Inorganic Chemistry</i>. <a href=\"https://doi.org/10.1002/ejic.202400057\">https://doi.org/10.1002/ejic.202400057</a>","ama":"Köring L, Birenheide B, Krämer F, et al. Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide Rearrangements. <i>European Journal of Inorganic Chemistry</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1002/ejic.202400057\">10.1002/ejic.202400057</a>","chicago":"Köring, Laura, Bernhard Birenheide, Felix Krämer, Jonas O. Wenzel, Roland Schoch, Martin Brehm, Frank Breher, and Jan Paradies. “Synthesis of Ferrocenyl Boranes and Their Application as Lewis Acids in Epoxide Rearrangements.” <i>European Journal of Inorganic Chemistry</i>, 2024. <a href=\"https://doi.org/10.1002/ejic.202400057\">https://doi.org/10.1002/ejic.202400057</a>.","ieee":"L. Köring <i>et al.</i>, “Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide Rearrangements,” <i>European Journal of Inorganic Chemistry</i>, 2024, doi: <a href=\"https://doi.org/10.1002/ejic.202400057\">10.1002/ejic.202400057</a>."},"year":"2024","publication_identifier":{"issn":["1434-1948","1099-0682"]},"publication_status":"published","doi":"10.1002/ejic.202400057","title":"Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide Rearrangements","date_created":"2024-03-14T07:09:09Z","author":[{"first_name":"Laura","last_name":"Köring","full_name":"Köring, Laura"},{"first_name":"Bernhard","last_name":"Birenheide","full_name":"Birenheide, Bernhard"},{"first_name":"Felix","last_name":"Krämer","full_name":"Krämer, Felix"},{"full_name":"Wenzel, Jonas O.","last_name":"Wenzel","first_name":"Jonas O."},{"first_name":"Roland","orcid":"0000-0003-2061-7289","last_name":"Schoch","id":"48467","full_name":"Schoch, Roland"},{"id":"100167","full_name":"Brehm, Martin","last_name":"Brehm","first_name":"Martin"},{"last_name":"Breher","full_name":"Breher, Frank","first_name":"Frank"},{"first_name":"Jan","last_name":"Paradies","orcid":"0000-0002-3698-668X","full_name":"Paradies, Jan","id":"53339"}],"date_updated":"2024-03-14T07:10:37Z","publisher":"Wiley"},{"keyword":["Surfaces","Coatings and Films","Physical and Theoretical Chemistry","General Energy","Electronic","Optical and Magnetic Materials"],"language":[{"iso":"eng"}],"publication":"The Journal of Physical Chemistry C","publisher":"American Chemical Society (ACS)","date_created":"2024-03-13T12:23:15Z","title":"Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers","issue":"8","year":"2024","_id":"52534","department":[{"_id":"35"},{"_id":"15"}],"user_id":"61389","type":"journal_article","status":"public","date_updated":"2024-03-14T09:27:57Z","volume":128,"author":[{"orcid":"0009-0008-6279-077X","last_name":"Bauch","full_name":"Bauch, Fabian","id":"61389","first_name":"Fabian"},{"first_name":"Chuan-Ding","last_name":"Dong","full_name":"Dong, Chuan-Ding","id":"67188"},{"id":"27271","full_name":"Schumacher, Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan"}],"doi":"10.1021/acs.jpcc.3c07513","publication_identifier":{"issn":["1932-7447","1932-7455"]},"publication_status":"published","intvolume":"       128","page":"3525-3532","citation":{"mla":"Bauch, Fabian, et al. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” <i>The Journal of Physical Chemistry C</i>, vol. 128, no. 8, American Chemical Society (ACS), 2024, pp. 3525–32, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>.","bibtex":"@article{Bauch_Dong_Schumacher_2024, title={Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers}, volume={128}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>}, number={8}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2024}, pages={3525–3532} }","short":"F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 128 (2024) 3525–3532.","apa":"Bauch, F., Dong, C.-D., &#38; Schumacher, S. (2024). Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. <i>The Journal of Physical Chemistry C</i>, <i>128</i>(8), 3525–3532. <a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">https://doi.org/10.1021/acs.jpcc.3c07513</a>","chicago":"Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” <i>The Journal of Physical Chemistry C</i> 128, no. 8 (2024): 3525–32. <a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">https://doi.org/10.1021/acs.jpcc.3c07513</a>.","ieee":"F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers,” <i>The Journal of Physical Chemistry C</i>, vol. 128, no. 8, pp. 3525–3532, 2024, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>.","ama":"Bauch F, Dong C-D, Schumacher S. Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. <i>The Journal of Physical Chemistry C</i>. 2024;128(8):3525-3532. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>"}},{"keyword":["Materials Chemistry","Metals and Alloys","Physical and Theoretical Chemistry","Condensed Matter Physics"],"language":[{"iso":"eng"}],"_id":"50726","department":[{"_id":"157"}],"user_id":"5974","abstract":[{"text":"<jats:p>Resistance spot‐welded joints containing press‐hardened steels are seen to exhibit a fracture mode called total dome failure, where the weld nugget completely separates from one steel sheet along the weld nugget edge. The effect of weld nugget shape and material property gradients is studied based on damage mechanics modeling and experimental validation to shed light on the underlying influencing factors. For a three‐steel‐sheet spot‐welded joint combining DP600 (1.5 mm)–CR1900T (1.0 mm)–CR1900T (1.0 mm), experiments under shear loading reveal that fracture occurs in the DP600 sheet along the weld nugget edge. In subsequent numerical simulation studies with damage mechanics models whose parameters are independently calibrated for every involved material configuration, three variations of the geometrical joint configuration are considered—an approximation of the real joint, one variation with a steeper weld nugget shape, and one variation with a less pronounced gradient between weld nugget material and heat‐affected zone material properties. The results of the finite‐element simulations show that a shallower weld nugget and a more pronounced material gradient lead to a faster increase of plastic strain at the edge of the weld nugget and promote the occurrence of total dome failure.</jats:p>","lang":"eng"}],"status":"public","publication":"steel research international","type":"journal_article","title":"Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints","doi":"10.1002/srin.202300530","date_updated":"2024-03-18T12:49:31Z","publisher":"Wiley","date_created":"2024-01-22T09:17:07Z","author":[{"last_name":"Schuster","full_name":"Schuster, Lilia","first_name":"Lilia"},{"id":"5974","full_name":"Olfert, Viktoria","last_name":"Olfert","first_name":"Viktoria"},{"first_name":"Oleksii","full_name":"Sherepenko, Oleksii","last_name":"Sherepenko"},{"last_name":"Fehrenbach","full_name":"Fehrenbach, Clemens","first_name":"Clemens"},{"first_name":"Shiyuan","full_name":"Song, Shiyuan","last_name":"Song"},{"last_name":"Hein","full_name":"Hein, David","id":"7728","first_name":"David"},{"first_name":"Gerson","full_name":"Meschut, Gerson","id":"32056","orcid":"0000-0002-2763-1246","last_name":"Meschut"},{"full_name":"Biro, Elliot","last_name":"Biro","first_name":"Elliot"},{"first_name":"Sebastian","last_name":"Münstermann","full_name":"Münstermann, Sebastian"}],"year":"2024","citation":{"mla":"Schuster, Lilia, et al. “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.” <i>Steel Research International</i>, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>.","short":"L. Schuster, V. Olfert, O. Sherepenko, C. Fehrenbach, S. Song, D. Hein, G. Meschut, E. Biro, S. Münstermann, Steel Research International (2024).","bibtex":"@article{Schuster_Olfert_Sherepenko_Fehrenbach_Song_Hein_Meschut_Biro_Münstermann_2024, title={Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints}, DOI={<a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>}, journal={steel research international}, publisher={Wiley}, author={Schuster, Lilia and Olfert, Viktoria and Sherepenko, Oleksii and Fehrenbach, Clemens and Song, Shiyuan and Hein, David and Meschut, Gerson and Biro, Elliot and Münstermann, Sebastian}, year={2024} }","apa":"Schuster, L., Olfert, V., Sherepenko, O., Fehrenbach, C., Song, S., Hein, D., Meschut, G., Biro, E., &#38; Münstermann, S. (2024). Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints. <i>Steel Research International</i>. <a href=\"https://doi.org/10.1002/srin.202300530\">https://doi.org/10.1002/srin.202300530</a>","ama":"Schuster L, Olfert V, Sherepenko O, et al. Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints. <i>steel research international</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>","chicago":"Schuster, Lilia, Viktoria Olfert, Oleksii Sherepenko, Clemens Fehrenbach, Shiyuan Song, David Hein, Gerson Meschut, Elliot Biro, and Sebastian Münstermann. “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.” <i>Steel Research International</i>, 2024. <a href=\"https://doi.org/10.1002/srin.202300530\">https://doi.org/10.1002/srin.202300530</a>.","ieee":"L. Schuster <i>et al.</i>, “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints,” <i>steel research international</i>, 2024, doi: <a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>."},"publication_identifier":{"issn":["1611-3683","1869-344X"]},"quality_controlled":"1","publication_status":"published"},{"doi":"10.3390/cryst14020117","date_updated":"2024-03-22T14:22:36Z","author":[{"full_name":"Milaege, Dennis","id":"35461","last_name":"Milaege","first_name":"Dennis"},{"first_name":"Niklas","last_name":"Eschemann","full_name":"Eschemann, Niklas"},{"first_name":"Kay-Peter","last_name":"Hoyer","full_name":"Hoyer, Kay-Peter","id":"48411"},{"first_name":"Mirko","last_name":"Schaper","full_name":"Schaper, Mirko","id":"43720"}],"volume":14,"citation":{"short":"D. Milaege, N. Eschemann, K.-P. Hoyer, M. Schaper, Crystals 14 (2024).","mla":"Milaege, Dennis, et al. “Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder Bed Fusion.” <i>Crystals</i>, vol. 14, no. 2, 117, MDPI AG, 2024, doi:<a href=\"https://doi.org/10.3390/cryst14020117\">10.3390/cryst14020117</a>.","bibtex":"@article{Milaege_Eschemann_Hoyer_Schaper_2024, title={Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder Bed Fusion}, volume={14}, DOI={<a href=\"https://doi.org/10.3390/cryst14020117\">10.3390/cryst14020117</a>}, number={2117}, journal={Crystals}, publisher={MDPI AG}, author={Milaege, Dennis and Eschemann, Niklas and Hoyer, Kay-Peter and Schaper, Mirko}, year={2024} }","apa":"Milaege, D., Eschemann, N., Hoyer, K.-P., &#38; Schaper, M. (2024). Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder Bed Fusion. <i>Crystals</i>, <i>14</i>(2), Article 117. <a href=\"https://doi.org/10.3390/cryst14020117\">https://doi.org/10.3390/cryst14020117</a>","ama":"Milaege D, Eschemann N, Hoyer K-P, Schaper M. Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder Bed Fusion. <i>Crystals</i>. 2024;14(2). doi:<a href=\"https://doi.org/10.3390/cryst14020117\">10.3390/cryst14020117</a>","chicago":"Milaege, Dennis, Niklas Eschemann, Kay-Peter Hoyer, and Mirko Schaper. “Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder Bed Fusion.” <i>Crystals</i> 14, no. 2 (2024). <a href=\"https://doi.org/10.3390/cryst14020117\">https://doi.org/10.3390/cryst14020117</a>.","ieee":"D. Milaege, N. Eschemann, K.-P. Hoyer, and M. Schaper, “Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder Bed Fusion,” <i>Crystals</i>, vol. 14, no. 2, Art. no. 117, 2024, doi: <a href=\"https://doi.org/10.3390/cryst14020117\">10.3390/cryst14020117</a>."},"intvolume":"        14","publication_status":"published","publication_identifier":{"issn":["2073-4352"]},"article_number":"117","_id":"52738","user_id":"35461","department":[{"_id":"158"},{"_id":"321"}],"status":"public","type":"journal_article","title":"Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder Bed Fusion","publisher":"MDPI AG","date_created":"2024-03-22T13:46:37Z","year":"2024","quality_controlled":"1","issue":"2","keyword":["Inorganic Chemistry","Condensed Matter Physics","General Materials Science","General Chemical Engineering"],"language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"<jats:p>Through tailoring the geometry and design of biomaterials, additive manufacturing is revolutionizing the production of metallic patient-specific implants, e.g., the Ti-6Al-7Nb alloy. Unfortunately, studies investigating this alloy showed that additively produced samples exhibit anisotropic microstructures. This anisotropy compromises the mechanical properties and complicates the loading state in the implant. Moreover, the minimum requirements as specified per designated standards such as ISO 5832-11 are not met. The remedy to this problem is performing a conventional heat treatment. As this route requires energy, infrastructure, labor, and expertise, which in turn mean time and money, many of the additive manufacturing benefits are negated. Thus, the goal of this work was to achieve better isotropy by applying only adapted additive manufacturing process parameters, specifically focusing on the build orientations. In this work, samples orientated in 90°, 45°, and 0° directions relative to the building platform were manufactured and tested. These tests included mechanical (tensile and fatigue tests) as well as microstructural analyses (SEM and EBSD). Subsequently, the results of these tests such as fractography were correlated with the acquired mechanical properties. These showed that 90°-aligned samples performed best under fatigue load and that all requirements specified by the standard regarding monotonic load were met.</jats:p>"}],"publication":"Crystals"},{"abstract":[{"lang":"eng","text":"Due to the hydrolytic instability of LiPF6 in carbonate-based solvents, HF is a typical impurity in Li-ion battery electrolytes. HF significantly influences the performance of Li-ion batteries, for example by impacting the formation of the solid electrolyte interphase at the anode and by affecting transition metal dissolution at the cathode. Additionally, HF complicates studying fundamental interfacial electrochemistry of Li-ion battery electrolytes, such as direct anion reduction, because it is electrocatalytically relatively unstable, resulting in LiF passivation layers. Methods to selectively remove ppm levels of HF from LiPF6-containing carbonate-based electrolytes are limited. We introduce and benchmark a simple yet efficient electrochemical in situ method to selectively remove ppm amounts of HF from LiPF6-containing carbonate-based electrolytes. The basic idea is the application of a suitable potential to a high surface-area metallic electrode upon which only HF reacts (electrocatalytically) while all other electrolyte components are unaffected under the respective conditions."}],"publication":"Journal of The Electrochemical Society","keyword":["Materials Chemistry","Electrochemistry","Surfaces","Coatings and Films","Condensed Matter Physics","Renewable Energy","Sustainability and the Environment","Electronic","Optical and Magnetic Materials"],"language":[{"iso":"eng"}],"year":"2024","quality_controlled":"1","title":"Electrochemical Removal of HF from Carbonate-based LiPF6-containing Li-ion Battery Electrolytes","publisher":"The Electrochemical Society","date_created":"2024-03-08T06:27:10Z","status":"public","type":"journal_article","article_type":"original","_id":"52372","department":[{"_id":"35"},{"_id":"2"},{"_id":"307"}],"user_id":"23547","page":"030552","intvolume":"       171","citation":{"apa":"Ge, X., Huck, M., Kuhlmann, A., Tiemann, M., Weinberger, C., Xu, X., Zhao, Z., &#38; Steinrueck, H.-G. (2024). Electrochemical Removal of HF from Carbonate-based LiPF6-containing Li-ion Battery Electrolytes. <i>Journal of The Electrochemical Society</i>, <i>171</i>, 030552. <a href=\"https://doi.org/10.1149/1945-7111/ad30d3\">https://doi.org/10.1149/1945-7111/ad30d3</a>","mla":"Ge, Xiaokun, et al. “Electrochemical Removal of HF from Carbonate-Based LiPF6-Containing Li-Ion Battery Electrolytes.” <i>Journal of The Electrochemical Society</i>, vol. 171, The Electrochemical Society, 2024, p. 030552, doi:<a href=\"https://doi.org/10.1149/1945-7111/ad30d3\">10.1149/1945-7111/ad30d3</a>.","short":"X. Ge, M. Huck, A. Kuhlmann, M. Tiemann, C. Weinberger, X. Xu, Z. Zhao, H.-G. Steinrueck, Journal of The Electrochemical Society 171 (2024) 030552.","bibtex":"@article{Ge_Huck_Kuhlmann_Tiemann_Weinberger_Xu_Zhao_Steinrueck_2024, title={Electrochemical Removal of HF from Carbonate-based LiPF6-containing Li-ion Battery Electrolytes}, volume={171}, DOI={<a href=\"https://doi.org/10.1149/1945-7111/ad30d3\">10.1149/1945-7111/ad30d3</a>}, journal={Journal of The Electrochemical Society}, publisher={The Electrochemical Society}, author={Ge, Xiaokun and Huck, Marten and Kuhlmann, Andreas and Tiemann, Michael and Weinberger, Christian and Xu, Xiaodan and Zhao, Zhenyu and Steinrueck, Hans-Georg}, year={2024}, pages={030552} }","chicago":"Ge, Xiaokun, Marten Huck, Andreas Kuhlmann, Michael Tiemann, Christian Weinberger, Xiaodan Xu, Zhenyu Zhao, and Hans-Georg Steinrueck. “Electrochemical Removal of HF from Carbonate-Based LiPF6-Containing Li-Ion Battery Electrolytes.” <i>Journal of The Electrochemical Society</i> 171 (2024): 030552. <a href=\"https://doi.org/10.1149/1945-7111/ad30d3\">https://doi.org/10.1149/1945-7111/ad30d3</a>.","ieee":"X. Ge <i>et al.</i>, “Electrochemical Removal of HF from Carbonate-based LiPF6-containing Li-ion Battery Electrolytes,” <i>Journal of The Electrochemical Society</i>, vol. 171, p. 030552, 2024, doi: <a href=\"https://doi.org/10.1149/1945-7111/ad30d3\">10.1149/1945-7111/ad30d3</a>.","ama":"Ge X, Huck M, Kuhlmann A, et al. Electrochemical Removal of HF from Carbonate-based LiPF6-containing Li-ion Battery Electrolytes. <i>Journal of The Electrochemical Society</i>. 2024;171:030552. doi:<a href=\"https://doi.org/10.1149/1945-7111/ad30d3\">10.1149/1945-7111/ad30d3</a>"},"publication_identifier":{"issn":["0013-4651","1945-7111"]},"publication_status":"published","doi":"10.1149/1945-7111/ad30d3","main_file_link":[{"open_access":"1","url":"https://dx.doi.org/10.1149/1945-7111/ad30d3"}],"date_updated":"2024-03-25T17:01:09Z","oa":"1","volume":171,"author":[{"last_name":"Ge","full_name":"Ge, Xiaokun","first_name":"Xiaokun"},{"first_name":"Marten","full_name":"Huck, Marten","last_name":"Huck"},{"first_name":"Andreas","last_name":"Kuhlmann","full_name":"Kuhlmann, Andreas"},{"full_name":"Tiemann, Michael","id":"23547","last_name":"Tiemann","orcid":"0000-0003-1711-2722","first_name":"Michael"},{"first_name":"Christian","last_name":"Weinberger","full_name":"Weinberger, Christian","id":"11848"},{"last_name":"Xu","full_name":"Xu, Xiaodan","first_name":"Xiaodan"},{"last_name":"Zhao","full_name":"Zhao, Zhenyu","first_name":"Zhenyu"},{"first_name":"Hans-Georg","last_name":"Steinrueck","full_name":"Steinrueck, Hans-Georg"}]},{"language":[{"iso":"eng"}],"keyword":["Organic Chemistry","Polymers and Plastics","Biochemistry","Bioengineering"],"abstract":[{"text":"<jats:p>An SPR-based dually crosslinked gel sensor for adiponitrile bearing pillar[5]arene responsive sites with a low limit of detection was developed.</jats:p>","lang":"eng"}],"publication":"Polymer Chemistry","title":"Pillar[5]arene-based dually crosslinked supramolecular gel as a sensor for the detection of adiponitrile","date_created":"2024-04-03T10:57:17Z","publisher":"Royal Society of Chemistry (RSC)","year":"2024","issue":"7","article_type":"original","department":[{"_id":"163"}],"user_id":"94","_id":"53163","status":"public","type":"journal_article","doi":"10.1039/d3py01354e","volume":15,"author":[{"last_name":"Rodin","full_name":"Rodin, Maksim","first_name":"Maksim"},{"first_name":"David","full_name":"Helle, David","last_name":"Helle"},{"last_name":"Kuckling","full_name":"Kuckling, Dirk","id":"287","first_name":"Dirk"}],"date_updated":"2024-04-03T11:03:03Z","intvolume":"        15","page":"661-679","citation":{"apa":"Rodin, M., Helle, D., &#38; Kuckling, D. (2024). Pillar[5]arene-based dually crosslinked supramolecular gel as a sensor for the detection of adiponitrile. <i>Polymer Chemistry</i>, <i>15</i>(7), 661–679. <a href=\"https://doi.org/10.1039/d3py01354e\">https://doi.org/10.1039/d3py01354e</a>","short":"M. Rodin, D. Helle, D. Kuckling, Polymer Chemistry 15 (2024) 661–679.","mla":"Rodin, Maksim, et al. “Pillar[5]Arene-Based Dually Crosslinked Supramolecular Gel as a Sensor for the Detection of Adiponitrile.” <i>Polymer Chemistry</i>, vol. 15, no. 7, Royal Society of Chemistry (RSC), 2024, pp. 661–79, doi:<a href=\"https://doi.org/10.1039/d3py01354e\">10.1039/d3py01354e</a>.","bibtex":"@article{Rodin_Helle_Kuckling_2024, title={Pillar[5]arene-based dually crosslinked supramolecular gel as a sensor for the detection of adiponitrile}, volume={15}, DOI={<a href=\"https://doi.org/10.1039/d3py01354e\">10.1039/d3py01354e</a>}, number={7}, journal={Polymer Chemistry}, publisher={Royal Society of Chemistry (RSC)}, author={Rodin, Maksim and Helle, David and Kuckling, Dirk}, year={2024}, pages={661–679} }","ama":"Rodin M, Helle D, Kuckling D. Pillar[5]arene-based dually crosslinked supramolecular gel as a sensor for the detection of adiponitrile. <i>Polymer Chemistry</i>. 2024;15(7):661-679. doi:<a href=\"https://doi.org/10.1039/d3py01354e\">10.1039/d3py01354e</a>","chicago":"Rodin, Maksim, David Helle, and Dirk Kuckling. “Pillar[5]Arene-Based Dually Crosslinked Supramolecular Gel as a Sensor for the Detection of Adiponitrile.” <i>Polymer Chemistry</i> 15, no. 7 (2024): 661–79. <a href=\"https://doi.org/10.1039/d3py01354e\">https://doi.org/10.1039/d3py01354e</a>.","ieee":"M. Rodin, D. Helle, and D. Kuckling, “Pillar[5]arene-based dually crosslinked supramolecular gel as a sensor for the detection of adiponitrile,” <i>Polymer Chemistry</i>, vol. 15, no. 7, pp. 661–679, 2024, doi: <a href=\"https://doi.org/10.1039/d3py01354e\">10.1039/d3py01354e</a>."},"publication_identifier":{"issn":["1759-9954","1759-9962"]},"publication_status":"published"},{"status":"public","abstract":[{"lang":"eng","text":"<jats:p>The coupling of structural transitions to heat capacity changes leads to destabilization of macromolecules at both, elevated and lowered temperatures. DNA origami not only exhibit this property but also provide...</jats:p>"}],"publication":"Chemical Communications","type":"journal_article","language":[{"iso":"eng"}],"keyword":["Materials Chemistry","Metals and Alloys","Surfaces","Coatings and Films","General Chemistry","Ceramics and Composites","Electronic","Optical and Magnetic Materials","Catalysis"],"department":[{"_id":"302"}],"user_id":"48864","_id":"53621","citation":{"ieee":"D. Dornbusch <i>et al.</i>, “Cold denaturation of DNA origami nanostructures,” <i>Chemical Communications</i>, 2024, doi: <a href=\"https://doi.org/10.1039/d3cc05985e\">10.1039/d3cc05985e</a>.","chicago":"Dornbusch, Daniel, Marcel Hanke, Emilia Tomm, Charlotte Kielar, Guido Grundmeier, Adrian Keller, and Karim Fahmy. “Cold Denaturation of DNA Origami Nanostructures.” <i>Chemical Communications</i>, 2024. <a href=\"https://doi.org/10.1039/d3cc05985e\">https://doi.org/10.1039/d3cc05985e</a>.","ama":"Dornbusch D, Hanke M, Tomm E, et al. Cold denaturation of DNA origami nanostructures. <i>Chemical Communications</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1039/d3cc05985e\">10.1039/d3cc05985e</a>","bibtex":"@article{Dornbusch_Hanke_Tomm_Kielar_Grundmeier_Keller_Fahmy_2024, title={Cold denaturation of DNA origami nanostructures}, DOI={<a href=\"https://doi.org/10.1039/d3cc05985e\">10.1039/d3cc05985e</a>}, journal={Chemical Communications}, publisher={Royal Society of Chemistry (RSC)}, author={Dornbusch, Daniel and Hanke, Marcel and Tomm, Emilia and Kielar, Charlotte and Grundmeier, Guido and Keller, Adrian and Fahmy, Karim}, year={2024} }","short":"D. Dornbusch, M. Hanke, E. Tomm, C. Kielar, G. Grundmeier, A. Keller, K. Fahmy, Chemical Communications (2024).","mla":"Dornbusch, Daniel, et al. “Cold Denaturation of DNA Origami Nanostructures.” <i>Chemical Communications</i>, Royal Society of Chemistry (RSC), 2024, doi:<a href=\"https://doi.org/10.1039/d3cc05985e\">10.1039/d3cc05985e</a>.","apa":"Dornbusch, D., Hanke, M., Tomm, E., Kielar, C., Grundmeier, G., Keller, A., &#38; Fahmy, K. (2024). Cold denaturation of DNA origami nanostructures. <i>Chemical Communications</i>. <a href=\"https://doi.org/10.1039/d3cc05985e\">https://doi.org/10.1039/d3cc05985e</a>"},"year":"2024","publication_identifier":{"issn":["1359-7345","1364-548X"]},"publication_status":"published","doi":"10.1039/d3cc05985e","title":"Cold denaturation of DNA origami nanostructures","author":[{"first_name":"Daniel","last_name":"Dornbusch","full_name":"Dornbusch, Daniel"},{"full_name":"Hanke, Marcel","last_name":"Hanke","first_name":"Marcel"},{"id":"68157","full_name":"Tomm, Emilia","last_name":"Tomm","first_name":"Emilia"},{"first_name":"Charlotte","last_name":"Kielar","full_name":"Kielar, Charlotte"},{"id":"194","full_name":"Grundmeier, Guido","last_name":"Grundmeier","first_name":"Guido"},{"id":"48864","full_name":"Keller, Adrian","last_name":"Keller","orcid":"0000-0001-7139-3110","first_name":"Adrian"},{"first_name":"Karim","full_name":"Fahmy, Karim","last_name":"Fahmy"}],"date_created":"2024-04-23T08:20:05Z","date_updated":"2024-04-23T08:21:05Z","publisher":"Royal Society of Chemistry (RSC)"},{"publication_status":"published","quality_controlled":"1","publication_identifier":{"issn":["2352-5509"]},"citation":{"ama":"Riese J, Fasel H, Pannok M, Lier S. Decentralized production concepts for bio-based polymers - implications for supply chains, costs, and the carbon footprint. <i>Sustainable Production and Consumption</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1016/j.spc.2024.03.001\">10.1016/j.spc.2024.03.001</a>","ieee":"J. Riese, H. Fasel, M. Pannok, and S. Lier, “Decentralized production concepts for bio-based polymers - implications for supply chains, costs, and the carbon footprint,” <i>Sustainable Production and Consumption</i>, 2024, doi: <a href=\"https://doi.org/10.1016/j.spc.2024.03.001\">10.1016/j.spc.2024.03.001</a>.","chicago":"Riese, Julia, Henrik Fasel, Maik Pannok, and Stefan Lier. “Decentralized Production Concepts for Bio-Based Polymers - Implications for Supply Chains, Costs, and the Carbon Footprint.” <i>Sustainable Production and Consumption</i>, 2024. <a href=\"https://doi.org/10.1016/j.spc.2024.03.001\">https://doi.org/10.1016/j.spc.2024.03.001</a>.","short":"J. Riese, H. Fasel, M. Pannok, S. Lier, Sustainable Production and Consumption (2024).","mla":"Riese, Julia, et al. “Decentralized Production Concepts for Bio-Based Polymers - Implications for Supply Chains, Costs, and the Carbon Footprint.” <i>Sustainable Production and Consumption</i>, Elsevier BV, 2024, doi:<a href=\"https://doi.org/10.1016/j.spc.2024.03.001\">10.1016/j.spc.2024.03.001</a>.","bibtex":"@article{Riese_Fasel_Pannok_Lier_2024, title={Decentralized production concepts for bio-based polymers - implications for supply chains, costs, and the carbon footprint}, DOI={<a href=\"https://doi.org/10.1016/j.spc.2024.03.001\">10.1016/j.spc.2024.03.001</a>}, journal={Sustainable Production and Consumption}, publisher={Elsevier BV}, author={Riese, Julia and Fasel, Henrik and Pannok, Maik and Lier, Stefan}, year={2024} }","apa":"Riese, J., Fasel, H., Pannok, M., &#38; Lier, S. (2024). Decentralized production concepts for bio-based polymers - implications for supply chains, costs, and the carbon footprint. <i>Sustainable Production and Consumption</i>. <a href=\"https://doi.org/10.1016/j.spc.2024.03.001\">https://doi.org/10.1016/j.spc.2024.03.001</a>"},"year":"2024","date_created":"2024-03-08T11:28:26Z","author":[{"orcid":"0000-0002-3053-0534","last_name":"Riese","id":"101499","full_name":"Riese, Julia","first_name":"Julia"},{"full_name":"Fasel, Henrik","last_name":"Fasel","first_name":"Henrik"},{"last_name":"Pannok","full_name":"Pannok, Maik","first_name":"Maik"},{"first_name":"Stefan","last_name":"Lier","full_name":"Lier, Stefan"}],"publisher":"Elsevier BV","date_updated":"2024-10-22T09:54:40Z","doi":"10.1016/j.spc.2024.03.001","title":"Decentralized production concepts for bio-based polymers - implications for supply chains, costs, and the carbon footprint","type":"journal_article","publication":"Sustainable Production and Consumption","status":"public","user_id":"101499","department":[{"_id":"831"}],"_id":"52388","language":[{"iso":"eng"}],"keyword":["Industrial and Manufacturing Engineering","Renewable Energy","Sustainability and the Environment","Environmental Chemistry","Environmental Engineering"]},{"publication_status":"published","publication_identifier":{"issn":["2690-0637","2690-0637"]},"year":"2023","citation":{"apa":"Niemann, V. A., Huck, M., Steinrück, H.-G., Toney, M. F., Tarpeh, W. A., &#38; Bone, S. E. (2023). X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation. <i>ACS ES&#38;T Water</i>, <i>3</i>, 2627–2637. <a href=\"https://doi.org/10.1021/acsestwater.3c00144\">https://doi.org/10.1021/acsestwater.3c00144</a>","mla":"Niemann, Valerie A., et al. “X-Ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation.” <i>ACS ES&#38;T Water</i>, vol. 3, American Chemical Society (ACS), 2023, pp. 2627–37, doi:<a href=\"https://doi.org/10.1021/acsestwater.3c00144\">10.1021/acsestwater.3c00144</a>.","bibtex":"@article{Niemann_Huck_Steinrück_Toney_Tarpeh_Bone_2023, title={X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation}, volume={3}, DOI={<a href=\"https://doi.org/10.1021/acsestwater.3c00144\">10.1021/acsestwater.3c00144</a>}, journal={ACS ES&#38;T Water}, publisher={American Chemical Society (ACS)}, author={Niemann, Valerie A. and Huck, Marten and Steinrück, Hans-Georg and Toney, Michael F. and Tarpeh, William A. and Bone, Sharon E.}, year={2023}, pages={2627–2637} }","short":"V.A. Niemann, M. Huck, H.-G. Steinrück, M.F. Toney, W.A. Tarpeh, S.E. Bone, ACS ES&#38;T Water 3 (2023) 2627–2637.","ama":"Niemann VA, Huck M, Steinrück H-G, Toney MF, Tarpeh WA, Bone SE. X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation. <i>ACS ES&#38;T Water</i>. 2023;3:2627-2637. doi:<a href=\"https://doi.org/10.1021/acsestwater.3c00144\">10.1021/acsestwater.3c00144</a>","chicago":"Niemann, Valerie A., Marten Huck, Hans-Georg Steinrück, Michael F. Toney, William A. Tarpeh, and Sharon E. Bone. “X-Ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation.” <i>ACS ES&#38;T Water</i> 3 (2023): 2627–37. <a href=\"https://doi.org/10.1021/acsestwater.3c00144\">https://doi.org/10.1021/acsestwater.3c00144</a>.","ieee":"V. A. Niemann, M. Huck, H.-G. Steinrück, M. F. Toney, W. A. Tarpeh, and S. E. Bone, “X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation,” <i>ACS ES&#38;T Water</i>, vol. 3, pp. 2627–2637, 2023, doi: <a href=\"https://doi.org/10.1021/acsestwater.3c00144\">10.1021/acsestwater.3c00144</a>."},"page":"2627-2637","intvolume":"         3","date_updated":"2023-10-03T09:11:14Z","publisher":"American Chemical Society (ACS)","date_created":"2023-07-01T15:47:46Z","author":[{"first_name":"Valerie A.","last_name":"Niemann","full_name":"Niemann, Valerie A."},{"first_name":"Marten","last_name":"Huck","full_name":"Huck, Marten"},{"last_name":"Steinrück","orcid":"0000-0001-6373-0877","full_name":"Steinrück, Hans-Georg","id":"84268","first_name":"Hans-Georg"},{"first_name":"Michael F.","full_name":"Toney, Michael F.","last_name":"Toney"},{"first_name":"William A.","last_name":"Tarpeh","full_name":"Tarpeh, William A."},{"first_name":"Sharon E.","full_name":"Bone, Sharon E.","last_name":"Bone"}],"volume":3,"title":"X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation","doi":"10.1021/acsestwater.3c00144","type":"journal_article","publication":"ACS ES&T Water","status":"public","_id":"45826","user_id":"84268","department":[{"_id":"633"}],"keyword":["Water Science and Technology","Environmental Chemistry","Chemistry (miscellaneous)","Chemical Engineering (miscellaneous)"],"language":[{"iso":"eng"}]},{"citation":{"mla":"Krämer, Felix, et al. “A Crystalline Aluminium–Carbon-Based Ambiphile Capable of Activation and Catalytic Transfer of Ammonia in Non-Aqueous Media.” <i>Nature Chemistry</i>, Springer Science and Business Media LLC, 2023, doi:<a href=\"https://doi.org/10.1038/s41557-023-01340-9\">10.1038/s41557-023-01340-9</a>.","bibtex":"@article{Krämer_Paradies_Fernández_Breher_2023, title={A crystalline aluminium–carbon-based ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous media}, DOI={<a href=\"https://doi.org/10.1038/s41557-023-01340-9\">10.1038/s41557-023-01340-9</a>}, journal={Nature Chemistry}, publisher={Springer Science and Business Media LLC}, author={Krämer, Felix and Paradies, Jan and Fernández, Israel and Breher, Frank}, year={2023} }","short":"F. Krämer, J. Paradies, I. Fernández, F. Breher, Nature Chemistry (2023).","apa":"Krämer, F., Paradies, J., Fernández, I., &#38; Breher, F. (2023). A crystalline aluminium–carbon-based ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous media. <i>Nature Chemistry</i>. <a href=\"https://doi.org/10.1038/s41557-023-01340-9\">https://doi.org/10.1038/s41557-023-01340-9</a>","ieee":"F. Krämer, J. Paradies, I. Fernández, and F. Breher, “A crystalline aluminium–carbon-based ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous media,” <i>Nature Chemistry</i>, 2023, doi: <a href=\"https://doi.org/10.1038/s41557-023-01340-9\">10.1038/s41557-023-01340-9</a>.","chicago":"Krämer, Felix, Jan Paradies, Israel Fernández, and Frank Breher. “A Crystalline Aluminium–Carbon-Based Ambiphile Capable of Activation and Catalytic Transfer of Ammonia in Non-Aqueous Media.” <i>Nature Chemistry</i>, 2023. <a href=\"https://doi.org/10.1038/s41557-023-01340-9\">https://doi.org/10.1038/s41557-023-01340-9</a>.","ama":"Krämer F, Paradies J, Fernández I, Breher F. A crystalline aluminium–carbon-based ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous media. <i>Nature Chemistry</i>. Published online 2023. doi:<a href=\"https://doi.org/10.1038/s41557-023-01340-9\">10.1038/s41557-023-01340-9</a>"},"year":"2023","publication_status":"published","publication_identifier":{"issn":["1755-4330","1755-4349"]},"doi":"10.1038/s41557-023-01340-9","title":"A crystalline aluminium–carbon-based ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous media","date_created":"2023-10-04T14:40:07Z","author":[{"full_name":"Krämer, Felix","last_name":"Krämer","first_name":"Felix"},{"first_name":"Jan","id":"53339","full_name":"Paradies, Jan","orcid":"0000-0002-3698-668X","last_name":"Paradies"},{"last_name":"Fernández","full_name":"Fernández, Israel","first_name":"Israel"},{"first_name":"Frank","last_name":"Breher","full_name":"Breher, Frank"}],"date_updated":"2023-10-04T14:41:12Z","publisher":"Springer Science and Business Media LLC","status":"public","type":"journal_article","publication":"Nature Chemistry","language":[{"iso":"eng"}],"keyword":["General Chemical Engineering","General Chemistry"],"user_id":"53339","department":[{"_id":"2"},{"_id":"389"}],"_id":"47589"},{"publisher":"American Chemical Society (ACS)","date_created":"2023-10-11T09:06:05Z","title":"Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain Walls","quality_controlled":"1","issue":"3","year":"2023","keyword":["Mechanical Engineering","Condensed Matter Physics","General Materials Science","General Chemistry","Bioengineering"],"language":[{"iso":"eng"}],"publication":"Nano Letters","abstract":[{"lang":"eng","text":"Ferroelectric domain boundaries are quasi-two-dimensional functional interfaces with high prospects for nanoelectronic applications. Despite their reduced dimensionality, they can exhibit complex non-Ising polarization configurations and unexpected physical properties. Here, the impact of the three-dimensional (3D) curvature on the polarization profile of nominally uncharged 180° domain walls in LiNbO3 is studied using second-harmonic generation microscopy and 3D polarimetry analysis. Correlations between the domain-wall curvature and the variation of its internal polarization unfold in the form of modulations of the Néel-like character, which we attribute to the flexoelectric effect. While the Néel-like character originates mainly from the tilting of the domain wall, the internal polarization adjusts its orientation due to the synergetic upshot of dipolar and monopolar bound charges and their variation with the 3D curvature. Our results show that curved interfaces in solid crystals may offer a rich playground for tailoring nanoscale polar states."}],"date_updated":"2023-10-11T09:06:31Z","volume":23,"author":[{"full_name":"Acevedo-Salas, Ulises","last_name":"Acevedo-Salas","first_name":"Ulises"},{"full_name":"Croes, Boris","last_name":"Croes","first_name":"Boris"},{"last_name":"Zhang","full_name":"Zhang, Yide","first_name":"Yide"},{"first_name":"Olivier","full_name":"Cregut, Olivier","last_name":"Cregut"},{"last_name":"Dorkenoo","full_name":"Dorkenoo, Kokou Dodzi","first_name":"Kokou Dodzi"},{"last_name":"Kirbus","full_name":"Kirbus, Benjamin","first_name":"Benjamin"},{"full_name":"Singh, Ekta","last_name":"Singh","first_name":"Ekta"},{"first_name":"Henrik","last_name":"Beccard","full_name":"Beccard, Henrik"},{"full_name":"Rüsing, Michael","id":"22501","last_name":"Rüsing","orcid":"0000-0003-4682-4577","first_name":"Michael"},{"first_name":"Lukas M.","last_name":"Eng","full_name":"Eng, Lukas M."},{"first_name":"Riccardo","last_name":"Hertel","full_name":"Hertel, Riccardo"},{"last_name":"Eliseev","full_name":"Eliseev, Eugene A.","first_name":"Eugene A."},{"full_name":"Morozovska, Anna N.","last_name":"Morozovska","first_name":"Anna N."},{"full_name":"Cherifi-Hertel, Salia","last_name":"Cherifi-Hertel","first_name":"Salia"}],"doi":"10.1021/acs.nanolett.2c03579","publication_identifier":{"issn":["1530-6984","1530-6992"]},"publication_status":"published","page":"795-803","intvolume":"        23","citation":{"bibtex":"@article{Acevedo-Salas_Croes_Zhang_Cregut_Dorkenoo_Kirbus_Singh_Beccard_Rüsing_Eng_et al._2023, title={Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain Walls}, volume={23}, DOI={<a href=\"https://doi.org/10.1021/acs.nanolett.2c03579\">10.1021/acs.nanolett.2c03579</a>}, number={3}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Acevedo-Salas, Ulises and Croes, Boris and Zhang, Yide and Cregut, Olivier and Dorkenoo, Kokou Dodzi and Kirbus, Benjamin and Singh, Ekta and Beccard, Henrik and Rüsing, Michael and Eng, Lukas M. and et al.}, year={2023}, pages={795–803} }","mla":"Acevedo-Salas, Ulises, et al. “Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain Walls.” <i>Nano Letters</i>, vol. 23, no. 3, American Chemical Society (ACS), 2023, pp. 795–803, doi:<a href=\"https://doi.org/10.1021/acs.nanolett.2c03579\">10.1021/acs.nanolett.2c03579</a>.","short":"U. Acevedo-Salas, B. Croes, Y. Zhang, O. Cregut, K.D. Dorkenoo, B. Kirbus, E. Singh, H. Beccard, M. Rüsing, L.M. Eng, R. Hertel, E.A. Eliseev, A.N. Morozovska, S. Cherifi-Hertel, Nano Letters 23 (2023) 795–803.","apa":"Acevedo-Salas, U., Croes, B., Zhang, Y., Cregut, O., Dorkenoo, K. D., Kirbus, B., Singh, E., Beccard, H., Rüsing, M., Eng, L. M., Hertel, R., Eliseev, E. A., Morozovska, A. N., &#38; Cherifi-Hertel, S. (2023). Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain Walls. <i>Nano Letters</i>, <i>23</i>(3), 795–803. <a href=\"https://doi.org/10.1021/acs.nanolett.2c03579\">https://doi.org/10.1021/acs.nanolett.2c03579</a>","ama":"Acevedo-Salas U, Croes B, Zhang Y, et al. Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain Walls. <i>Nano Letters</i>. 2023;23(3):795-803. doi:<a href=\"https://doi.org/10.1021/acs.nanolett.2c03579\">10.1021/acs.nanolett.2c03579</a>","ieee":"U. Acevedo-Salas <i>et al.</i>, “Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain Walls,” <i>Nano Letters</i>, vol. 23, no. 3, pp. 795–803, 2023, doi: <a href=\"https://doi.org/10.1021/acs.nanolett.2c03579\">10.1021/acs.nanolett.2c03579</a>.","chicago":"Acevedo-Salas, Ulises, Boris Croes, Yide Zhang, Olivier Cregut, Kokou Dodzi Dorkenoo, Benjamin Kirbus, Ekta Singh, et al. “Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain Walls.” <i>Nano Letters</i> 23, no. 3 (2023): 795–803. <a href=\"https://doi.org/10.1021/acs.nanolett.2c03579\">https://doi.org/10.1021/acs.nanolett.2c03579</a>."},"_id":"47992","user_id":"22501","article_type":"original","extern":"1","type":"journal_article","status":"public"}]