[{"page":"1-5","_id":"26525","language":[{"iso":"ger"}],"user_id":"89838","doi":"10.1024/1422-4917/a000775","status":"public","year":"2021","title":"Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit                     rekombinant hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive                     Effekte auf Stimmung, Kognition und Verhalten","author":[{"full_name":"Hebebrand, Johannes","first_name":"Johannes","last_name":"Hebebrand"},{"full_name":"Antel, Jochen","last_name":"Antel","first_name":"Jochen"},{"full_name":"Tan, Susanne","last_name":"Tan","first_name":"Susanne"},{"first_name":"Martin","last_name":"Wabitsch","full_name":"Wabitsch, Martin"},{"last_name":"Wiesing","first_name":"Urban","full_name":"Wiesing, Urban"},{"first_name":"Nikolaus","last_name":"Barth","full_name":"Barth, Nikolaus"},{"full_name":"Ludwig, Christine","last_name":"Ludwig","first_name":"Christine"},{"id":"89838","full_name":"Bühlmeier, Judith","last_name":"Bühlmeier","first_name":"Judith"},{"full_name":"Libuda, Lars","last_name":"Libuda","first_name":"Lars","orcid":"0000-0003-1603-3133","id":"88682"},{"full_name":"Milos, Gabriella","first_name":"Gabriella","last_name":"Milos"},{"full_name":"Hinney, Anke","last_name":"Hinney","first_name":"Anke"}],"publication_identifier":{"issn":["1422-4917","1664-2880"]},"publication_status":"published","date_updated":"2022-09-15T09:50:49Z","date_created":"2021-10-19T09:55:10Z","type":"journal_article","department":[{"_id":"35"},{"_id":"22"}],"publication":"Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie","citation":{"apa":"Hebebrand, J., Antel, J., Tan, S., Wabitsch, M., Wiesing, U., Barth, N., Ludwig, C., Bühlmeier, J., Libuda, L., Milos, G., &#38; Hinney, A. (2021). Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit                     rekombinant hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive                     Effekte auf Stimmung, Kognition und Verhalten. <i>Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie</i>, 1–5. <a href=\"https://doi.org/10.1024/1422-4917/a000775\">https://doi.org/10.1024/1422-4917/a000775</a>","mla":"Hebebrand, Johannes, et al. “Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit                     rekombinant hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive                     Effekte auf Stimmung, Kognition und Verhalten.” <i>Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie</i>, 2021, pp. 1–5, doi:<a href=\"https://doi.org/10.1024/1422-4917/a000775\">10.1024/1422-4917/a000775</a>.","ieee":"J. Hebebrand <i>et al.</i>, “Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit                     rekombinant hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive                     Effekte auf Stimmung, Kognition und Verhalten,” <i>Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie</i>, pp. 1–5, 2021, doi: <a href=\"https://doi.org/10.1024/1422-4917/a000775\">10.1024/1422-4917/a000775</a>.","short":"J. Hebebrand, J. Antel, S. Tan, M. Wabitsch, U. Wiesing, N. Barth, C. Ludwig, J. Bühlmeier, L. Libuda, G. Milos, A. Hinney, Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie (2021) 1–5.","ama":"Hebebrand J, Antel J, Tan S, et al. Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit                     rekombinant hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive                     Effekte auf Stimmung, Kognition und Verhalten. <i>Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie</i>. Published online 2021:1-5. doi:<a href=\"https://doi.org/10.1024/1422-4917/a000775\">10.1024/1422-4917/a000775</a>","chicago":"Hebebrand, Johannes, Jochen Antel, Susanne Tan, Martin Wabitsch, Urban Wiesing, Nikolaus Barth, Christine Ludwig, et al. “Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit                     rekombinant hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive                     Effekte auf Stimmung, Kognition und Verhalten.” <i>Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie</i>, 2021, 1–5. <a href=\"https://doi.org/10.1024/1422-4917/a000775\">https://doi.org/10.1024/1422-4917/a000775</a>.","bibtex":"@article{Hebebrand_Antel_Tan_Wabitsch_Wiesing_Barth_Ludwig_Bühlmeier_Libuda_Milos_et al._2021, title={Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit                     rekombinant hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive                     Effekte auf Stimmung, Kognition und Verhalten}, DOI={<a href=\"https://doi.org/10.1024/1422-4917/a000775\">10.1024/1422-4917/a000775</a>}, journal={Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie}, author={Hebebrand, Johannes and Antel, Jochen and Tan, Susanne and Wabitsch, Martin and Wiesing, Urban and Barth, Nikolaus and Ludwig, Christine and Bühlmeier, Judith and Libuda, Lars and Milos, Gabriella and et al.}, year={2021}, pages={1–5} }"},"extern":"1"},{"keyword":["Condensed Matter Physics","General Materials Science","Atomic and Molecular Physics","and Optics"],"type":"journal_article","department":[{"_id":"613"}],"date_created":"2022-10-09T15:25:09Z","abstract":[{"text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.</jats:p>","lang":"eng"}],"issue":"1","publication":"Journal of Physics: Materials","doi":"10.1088/2515-7639/ac363d","article_number":"015001","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2022-10-09T15:25:19Z","intvolume":"         5","year":"2021","title":"On topological materials as photocatalysts for water splitting by visible light","publication_identifier":{"issn":["2515-7639"]},"author":[{"full_name":"Ranjbar, Ahmad","first_name":"Ahmad","last_name":"Ranjbar"},{"full_name":"Mirhosseini, Hossein","first_name":"Hossein","last_name":"Mirhosseini"},{"full_name":"Kühne, Thomas D","first_name":"Thomas D","last_name":"Kühne"}],"citation":{"apa":"Ranjbar, A., Mirhosseini, H., &#38; Kühne, T. D. (2021). On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>, <i>5</i>(1), Article 015001. <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>","ieee":"A. Ranjbar, H. Mirhosseini, and T. D. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, Art. no. 015001, 2021, doi: <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","short":"A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5 (2021).","chicago":"Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas D Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i> 5, no. 1 (2021). <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>.","mla":"Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","ama":"Ranjbar A, Mirhosseini H, Kühne TD. On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>. 2021;5(1). doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>","bibtex":"@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>}, number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}, year={2021} }"},"user_id":"71051","volume":5,"publisher":"IOP Publishing","_id":"33587","status":"public"},{"publication":"Journal of Materials Chemistry A","issue":"39","abstract":[{"text":"<jats:p>The origin of strong interactions between water molecules and porous C<jats:sub>2</jats:sub>N surfaces is investigated by using a combination of model materials, volumetric physisorption measurements, solid-state NMR spectroscopy, and DFT calculations.</jats:p>","lang":"eng"}],"date_created":"2022-10-10T08:08:53Z","department":[{"_id":"613"}],"type":"journal_article","keyword":["General Materials Science","Renewable Energy","Sustainability and the Environment","General Chemistry"],"publication_identifier":{"issn":["2050-7488","2050-7496"]},"author":[{"id":"53238","first_name":"Julian Joachim","last_name":"Heske","full_name":"Heske, Julian Joachim"},{"full_name":"Walczak, Ralf","first_name":"Ralf","last_name":"Walczak"},{"last_name":"Epping","first_name":"Jan D.","full_name":"Epping, Jan D."},{"last_name":"Youk","first_name":"Sol","full_name":"Youk, Sol"},{"full_name":"Sahoo, Sudhir K.","first_name":"Sudhir K.","last_name":"Sahoo"},{"full_name":"Antonietti, Markus","first_name":"Markus","last_name":"Antonietti"},{"id":"49079","first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas"},{"full_name":"Oschatz, Martin","first_name":"Martin","last_name":"Oschatz"}],"year":"2021","title":"When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials","intvolume":"         9","date_updated":"2022-10-10T08:09:44Z","publication_status":"published","language":[{"iso":"eng"}],"doi":"10.1039/d1ta05122a","citation":{"ieee":"J. J. Heske <i>et al.</i>, “When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials,” <i>Journal of Materials Chemistry A</i>, vol. 9, no. 39, pp. 22563–22572, 2021, doi: <a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>.","apa":"Heske, J. J., Walczak, R., Epping, J. D., Youk, S., Sahoo, S. K., Antonietti, M., Kühne, T., &#38; Oschatz, M. (2021). When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials. <i>Journal of Materials Chemistry A</i>, <i>9</i>(39), 22563–22572. <a href=\"https://doi.org/10.1039/d1ta05122a\">https://doi.org/10.1039/d1ta05122a</a>","short":"J.J. Heske, R. Walczak, J.D. Epping, S. Youk, S.K. Sahoo, M. Antonietti, T. Kühne, M. Oschatz, Journal of Materials Chemistry A 9 (2021) 22563–22572.","chicago":"Heske, Julian Joachim, Ralf Walczak, Jan D. Epping, Sol Youk, Sudhir K. Sahoo, Markus Antonietti, Thomas Kühne, and Martin Oschatz. “When Water Becomes an Integral Part of Carbon – Combining Theory and Experiment to Understand the Zeolite-like Water Adsorption Properties of Porous C<sub>2</sub>N Materials.” <i>Journal of Materials Chemistry A</i> 9, no. 39 (2021): 22563–72. <a href=\"https://doi.org/10.1039/d1ta05122a\">https://doi.org/10.1039/d1ta05122a</a>.","mla":"Heske, Julian Joachim, et al. “When Water Becomes an Integral Part of Carbon – Combining Theory and Experiment to Understand the Zeolite-like Water Adsorption Properties of Porous C<sub>2</sub>N Materials.” <i>Journal of Materials Chemistry A</i>, vol. 9, no. 39, Royal Society of Chemistry (RSC), 2021, pp. 22563–72, doi:<a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>.","bibtex":"@article{Heske_Walczak_Epping_Youk_Sahoo_Antonietti_Kühne_Oschatz_2021, title={When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials}, volume={9}, DOI={<a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>}, number={39}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Heske, Julian Joachim and Walczak, Ralf and Epping, Jan D. and Youk, Sol and Sahoo, Sudhir K. and Antonietti, Markus and Kühne, Thomas and Oschatz, Martin}, year={2021}, pages={22563–22572} }","ama":"Heske JJ, Walczak R, Epping JD, et al. When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials. <i>Journal of Materials Chemistry A</i>. 2021;9(39):22563-22572. doi:<a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>"},"status":"public","publisher":"Royal Society of Chemistry (RSC)","_id":"33643","page":"22563-22572","volume":9,"user_id":"71051"},{"status":"public","user_id":"71051","volume":11,"_id":"33645","publisher":"Springer Science and Business Media LLC","citation":{"chicago":"Ojha, Deepak, and Thomas Kühne. “Hydrogen Bond Dynamics of Interfacial Water Molecules Revealed from Two-Dimensional Vibrational Sum-Frequency Generation Spectroscopy.” <i>Scientific Reports</i> 11, no. 1 (2021). <a href=\"https://doi.org/10.1038/s41598-021-81635-4\">https://doi.org/10.1038/s41598-021-81635-4</a>.","short":"D. Ojha, T. Kühne, Scientific Reports 11 (2021).","apa":"Ojha, D., &#38; Kühne, T. (2021). Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy. <i>Scientific Reports</i>, <i>11</i>(1), Article 2456. <a href=\"https://doi.org/10.1038/s41598-021-81635-4\">https://doi.org/10.1038/s41598-021-81635-4</a>","ieee":"D. Ojha and T. Kühne, “Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy,” <i>Scientific Reports</i>, vol. 11, no. 1, Art. no. 2456, 2021, doi: <a href=\"https://doi.org/10.1038/s41598-021-81635-4\">10.1038/s41598-021-81635-4</a>.","ama":"Ojha D, Kühne T. Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy. <i>Scientific Reports</i>. 2021;11(1). doi:<a href=\"https://doi.org/10.1038/s41598-021-81635-4\">10.1038/s41598-021-81635-4</a>","bibtex":"@article{Ojha_Kühne_2021, title={Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy}, volume={11}, DOI={<a href=\"https://doi.org/10.1038/s41598-021-81635-4\">10.1038/s41598-021-81635-4</a>}, number={12456}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Ojha, Deepak and Kühne, Thomas}, year={2021} }","mla":"Ojha, Deepak, and Thomas Kühne. “Hydrogen Bond Dynamics of Interfacial Water Molecules Revealed from Two-Dimensional Vibrational Sum-Frequency Generation Spectroscopy.” <i>Scientific Reports</i>, vol. 11, no. 1, 2456, Springer Science and Business Media LLC, 2021, doi:<a href=\"https://doi.org/10.1038/s41598-021-81635-4\">10.1038/s41598-021-81635-4</a>."},"date_updated":"2022-10-10T08:12:16Z","publication_status":"published","intvolume":"        11","title":"Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy","year":"2021","author":[{"full_name":"Ojha, Deepak","last_name":"Ojha","first_name":"Deepak"},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"}],"publication_identifier":{"issn":["2045-2322"]},"doi":"10.1038/s41598-021-81635-4","article_number":"2456","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>Vibrational sum-frequency generation (vSFG) spectroscopy allows the study of the structure and dynamics of interfacial systems. In the present work, we provide a simple recipe, based on a narrowband IR pump and broadband vSFG probe technique, to computationally obtain the two-dimensional vSFG spectrum of water molecules at the air–water interface. Using this technique, to study the time-dependent spectral evolution of hydrogen-bonded and free water molecules, we demonstrate that at the interface, the vibrational spectral dynamics of the free OH bond is faster than that of the bonded OH mode.</jats:p>"}],"publication":"Scientific Reports","issue":"1","keyword":["Multidisciplinary"],"type":"journal_article","department":[{"_id":"613"}],"date_created":"2022-10-10T08:12:00Z"},{"status":"public","volume":125,"user_id":"71051","publisher":"American Chemical Society (ACS)","_id":"33644","page":"867-874","citation":{"apa":"Pylaeva, S., Marx, P., Singh, G., Kühne, T., Roemelt, M., &#38; Elgabarty, H. (2021). Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. <i>The Journal of Physical Chemistry A</i>, <i>125</i>(3), 867–874. <a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">https://doi.org/10.1021/acs.jpca.0c11296</a>","ieee":"S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, and H. Elgabarty, “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids,” <i>The Journal of Physical Chemistry A</i>, vol. 125, no. 3, pp. 867–874, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>.","chicago":"Pylaeva, Svetlana, Patrick Marx, Gurjot Singh, Thomas Kühne, Michael Roemelt, and Hossam Elgabarty. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” <i>The Journal of Physical Chemistry A</i> 125, no. 3 (2021): 867–74. <a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">https://doi.org/10.1021/acs.jpca.0c11296</a>.","short":"S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.","mla":"Pylaeva, Svetlana, et al. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” <i>The Journal of Physical Chemistry A</i>, vol. 125, no. 3, American Chemical Society (ACS), 2021, pp. 867–74, doi:<a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>.","ama":"Pylaeva S, Marx P, Singh G, Kühne T, Roemelt M, Elgabarty H. Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. <i>The Journal of Physical Chemistry A</i>. 2021;125(3):867-874. doi:<a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>","bibtex":"@article{Pylaeva_Marx_Singh_Kühne_Roemelt_Elgabarty_2021, title={Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>}, number={3}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Pylaeva, Svetlana and Marx, Patrick and Singh, Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam}, year={2021}, pages={867–874} }"},"intvolume":"       125","date_updated":"2022-10-10T08:11:18Z","publication_status":"published","author":[{"full_name":"Pylaeva, Svetlana","last_name":"Pylaeva","first_name":"Svetlana","id":"78888"},{"full_name":"Marx, Patrick","last_name":"Marx","first_name":"Patrick"},{"last_name":"Singh","first_name":"Gurjot","full_name":"Singh, Gurjot"},{"last_name":"Kühne","first_name":"Thomas","full_name":"Kühne, Thomas","id":"49079"},{"first_name":"Michael","last_name":"Roemelt","full_name":"Roemelt, Michael"},{"id":"60250","full_name":"Elgabarty, Hossam","first_name":"Hossam","orcid":"0000-0002-4945-1481","last_name":"Elgabarty"}],"publication_identifier":{"issn":["1089-5639","1520-5215"]},"year":"2021","title":"Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids","doi":"10.1021/acs.jpca.0c11296","language":[{"iso":"eng"}],"publication":"The Journal of Physical Chemistry A","issue":"3","department":[{"_id":"613"}],"type":"journal_article","keyword":["Physical and Theoretical Chemistry"],"date_created":"2022-10-10T08:10:52Z"},{"_id":"33649","publisher":"Wiley","user_id":"71051","volume":4,"status":"public","citation":{"chicago":"Kessler, Jan, Francesco Calcavecchia, and Thomas Kühne. “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo.” <i>Advanced Theory and Simulations</i> 4, no. 4 (2021). <a href=\"https://doi.org/10.1002/adts.202000269\">https://doi.org/10.1002/adts.202000269</a>.","short":"J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).","apa":"Kessler, J., Calcavecchia, F., &#38; Kühne, T. (2021). Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo. <i>Advanced Theory and Simulations</i>, <i>4</i>(4), Article 2000269. <a href=\"https://doi.org/10.1002/adts.202000269\">https://doi.org/10.1002/adts.202000269</a>","ieee":"J. Kessler, F. Calcavecchia, and T. Kühne, “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo,” <i>Advanced Theory and Simulations</i>, vol. 4, no. 4, Art. no. 2000269, 2021, doi: <a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>.","ama":"Kessler J, Calcavecchia F, Kühne T. Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo. <i>Advanced Theory and Simulations</i>. 2021;4(4). doi:<a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>","bibtex":"@article{Kessler_Calcavecchia_Kühne_2021, title={Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo}, volume={4}, DOI={<a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>}, number={42000269}, journal={Advanced Theory and Simulations}, publisher={Wiley}, author={Kessler, Jan and Calcavecchia, Francesco and Kühne, Thomas}, year={2021} }","mla":"Kessler, Jan, et al. “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo.” <i>Advanced Theory and Simulations</i>, vol. 4, no. 4, 2000269, Wiley, 2021, doi:<a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>."},"article_number":"2000269","language":[{"iso":"eng"}],"doi":"10.1002/adts.202000269","year":"2021","title":"Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo","author":[{"last_name":"Kessler","first_name":"Jan","orcid":"0000-0002-8705-6992","full_name":"Kessler, Jan","id":"65425"},{"last_name":"Calcavecchia","first_name":"Francesco","full_name":"Calcavecchia, Francesco"},{"id":"49079","full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas"}],"publication_identifier":{"issn":["2513-0390","2513-0390"]},"publication_status":"published","date_updated":"2022-10-10T08:15:37Z","intvolume":"         4","date_created":"2022-10-10T08:15:23Z","type":"journal_article","keyword":["Multidisciplinary","Modeling and Simulation","Numerical Analysis","Statistics and Probability"],"department":[{"_id":"613"}],"publication":"Advanced Theory and Simulations","issue":"4"},{"date_created":"2022-10-10T08:14:44Z","department":[{"_id":"613"}],"type":"journal_article","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"issue":"7","publication":"The Journal of Chemical Physics","language":[{"iso":"eng"}],"article_number":"074107","doi":"10.1063/5.0037319","author":[{"id":"77282","first_name":"Alireza","last_name":"Ghasemi","full_name":"Ghasemi, Alireza"},{"id":"49079","last_name":"Kühne","first_name":"Thomas","full_name":"Kühne, Thomas"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"year":"2021","title":"Artificial neural networks for the kinetic energy functional of non-interacting fermions","intvolume":"       154","date_updated":"2022-10-10T08:14:57Z","publication_status":"published","citation":{"chicago":"Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” <i>The Journal of Chemical Physics</i> 154, no. 7 (2021). <a href=\"https://doi.org/10.1063/5.0037319\">https://doi.org/10.1063/5.0037319</a>.","short":"A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).","ieee":"A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,” <i>The Journal of Chemical Physics</i>, vol. 154, no. 7, Art. no. 074107, 2021, doi: <a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>.","apa":"Ghasemi, A., &#38; Kühne, T. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. <i>The Journal of Chemical Physics</i>, <i>154</i>(7), Article 074107. <a href=\"https://doi.org/10.1063/5.0037319\">https://doi.org/10.1063/5.0037319</a>","bibtex":"@article{Ghasemi_Kühne_2021, title={Artificial neural networks for the kinetic energy functional of non-interacting fermions}, volume={154}, DOI={<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>}, number={7074107}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ghasemi, Alireza and Kühne, Thomas}, year={2021} }","ama":"Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional of non-interacting fermions. <i>The Journal of Chemical Physics</i>. 2021;154(7). doi:<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>","mla":"Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” <i>The Journal of Chemical Physics</i>, vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>."},"_id":"33648","publisher":"AIP Publishing","volume":154,"user_id":"71051","status":"public"},{"citation":{"chicago":"Chugh, Manjusha, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini, and Thomas Kühne. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.” <i>Materials Research Express</i> 8, no. 8 (2021). <a href=\"https://doi.org/10.1088/2053-1591/ac1965\">https://doi.org/10.1088/2053-1591/ac1965</a>.","short":"M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials Research Express 8 (2021).","ieee":"M. Chugh, M. Jain, G. Wang, A. S. Nia, H. Mirhosseini, and T. Kühne, “A combinatorial study of electrochemical anion intercalation into graphite,” <i>Materials Research Express</i>, vol. 8, no. 8, Art. no. 085502, 2021, doi: <a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>.","apa":"Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., &#38; Kühne, T. (2021). A combinatorial study of electrochemical anion intercalation into graphite. <i>Materials Research Express</i>, <i>8</i>(8), Article 085502. <a href=\"https://doi.org/10.1088/2053-1591/ac1965\">https://doi.org/10.1088/2053-1591/ac1965</a>","bibtex":"@article{Chugh_Jain_Wang_Nia_Mirhosseini_Kühne_2021, title={A combinatorial study of electrochemical anion intercalation into graphite}, volume={8}, DOI={<a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>}, number={8085502}, journal={Materials Research Express}, publisher={IOP Publishing}, author={Chugh, Manjusha and Jain, Mitisha and Wang, Gang and Nia, Ali Shaygan and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }","ama":"Chugh M, Jain M, Wang G, Nia AS, Mirhosseini H, Kühne T. A combinatorial study of electrochemical anion intercalation into graphite. <i>Materials Research Express</i>. 2021;8(8). doi:<a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>","mla":"Chugh, Manjusha, et al. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.” <i>Materials Research Express</i>, vol. 8, no. 8, 085502, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>."},"status":"public","_id":"33655","publisher":"IOP Publishing","user_id":"71051","volume":8,"issue":"8","publication":"Materials Research Express","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>Dual-ion batteries are considered to be an emerging viable energy storage technology owing to their safety, high power capability, low cost, and scalability. Intercalation of anions into a graphite positive electrode provides high operating voltage and improved energy density to such dual-ion batteries. In this work, we have performed a combinatorial study of graphite intercalation compounds considering four anions, namely hexafluorophosphate (PF<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{6}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>6</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn1.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula>), perchlorate (ClO<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{4}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>4</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn2.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula>), bis(fluorosulfonyl)imide (FSI<jats:sup>−</jats:sup>), and bis(trifluoromethanesulfonyl)imide (TFSI<jats:sup>−</jats:sup>), via first-principles calculations. The structural properties and energetics of the intercalation compounds are compared based on different sizes, geometries, and the physical and chemical properties of the intercalated anions. The staging mechanism of anion intercalation into graphite and the specific capacities, and voltage profiles of the intercalated compounds are investigated. A comparison regarding battery electrochemistry is also done with available experimental observations. Our calculated intercalation energies and voltage profiles show that the initial anion intercalation into graphite is less favorable than subsequent ones for all the anions considered in this study. Although the effect of the size of anions in a graphite cathode on various properties of the intercalated compounds is not as significant as the size of cations in a graphite anode, some distinction between the studied anions can still be made. Among the studied anions, the intercalation compounds based on PF<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{6}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>6</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn3.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula> are the most stable ones. These PF<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{6}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>6</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn4.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula> anions cause relatively small structural deformations of the graphite and have the highest oxidative ability, highest onset voltage, and highest diffusion barrier along the graphene sheets. The overall small diffusion barriers of the anions within graphite explain the high rate capability of dual-ion batteries.</jats:p>"}],"date_created":"2022-10-10T08:22:50Z","type":"journal_article","keyword":["Metals and Alloys","Polymers and Plastics","Surfaces","Coatings and Films","Biomaterials","Electronic","Optical and Magnetic Materials"],"department":[{"_id":"613"}],"title":"A combinatorial study of electrochemical anion intercalation into graphite","year":"2021","author":[{"id":"71511","first_name":"Manjusha","last_name":"Chugh","full_name":"Chugh, Manjusha"},{"first_name":"Mitisha","last_name":"Jain","full_name":"Jain, Mitisha"},{"last_name":"Wang","first_name":"Gang","full_name":"Wang, Gang"},{"first_name":"Ali Shaygan","last_name":"Nia","full_name":"Nia, Ali Shaygan"},{"full_name":"Mirhosseini, Hossein","first_name":"Hossein","last_name":"Mirhosseini","orcid":"0000-0001-6179-1545","id":"71051"},{"full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas","id":"49079"}],"publication_identifier":{"issn":["2053-1591"]},"date_updated":"2022-10-10T08:23:07Z","publication_status":"published","intvolume":"         8","article_number":"085502","language":[{"iso":"eng"}],"doi":"10.1088/2053-1591/ac1965"},{"date_updated":"2022-10-10T08:24:57Z","publication_status":"published","intvolume":"        12","year":"2021","title":"Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase","publication_identifier":{"issn":["2072-666X"]},"author":[{"first_name":"Pouya","last_name":"Partovi-Azar","full_name":"Partovi-Azar, Pouya"},{"full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas","id":"49079"}],"doi":"10.3390/mi12101212","article_number":"1212","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"<jats:p>We demonstrate how to fully ascribe Raman peaks simulated using ab initio molecular dynamics to specific vibrations in the structure at finite temperatures by means of Wannier functions. Here, we adopt our newly introduced method for the simulation of the Raman spectra in which the total polarizability of the system is expressed as a sum over Wannier polarizabilities. The assignment is then based on the calculation of partial Raman activities arising from self- and/or cross-correlations between different types of Wannier functions in the system. Different types of Wannier functions can be distinguished based on their spatial spread. To demonstrate the predictive power of this approach, we applied it to the case of a cyclohexane molecule in the gas phase and were able to fully assign the simulated Raman peaks.</jats:p>"}],"issue":"10","publication":"Micromachines","keyword":["Electrical and Electronic Engineering","Mechanical Engineering","Control and Systems Engineering"],"type":"journal_article","department":[{"_id":"613"}],"date_created":"2022-10-10T08:24:47Z","status":"public","user_id":"71051","volume":12,"_id":"33658","publisher":"MDPI AG","citation":{"ieee":"P. Partovi-Azar and T. Kühne, “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase,” <i>Micromachines</i>, vol. 12, no. 10, Art. no. 1212, 2021, doi: <a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>.","apa":"Partovi-Azar, P., &#38; Kühne, T. (2021). Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. <i>Micromachines</i>, <i>12</i>(10), Article 1212. <a href=\"https://doi.org/10.3390/mi12101212\">https://doi.org/10.3390/mi12101212</a>","chicago":"Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase.” <i>Micromachines</i> 12, no. 10 (2021). <a href=\"https://doi.org/10.3390/mi12101212\">https://doi.org/10.3390/mi12101212</a>.","short":"P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).","mla":"Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase.” <i>Micromachines</i>, vol. 12, no. 10, 1212, MDPI AG, 2021, doi:<a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>.","bibtex":"@article{Partovi-Azar_Kühne_2021, title={Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase}, volume={12}, DOI={<a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>}, number={101212}, journal={Micromachines}, publisher={MDPI AG}, author={Partovi-Azar, Pouya and Kühne, Thomas}, year={2021} }","ama":"Partovi-Azar P, Kühne T. Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. <i>Micromachines</i>. 2021;12(10). doi:<a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>"}},{"title":"Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials","year":"2021","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"first_name":"Sudhir K.","last_name":"Sahoo","full_name":"Sahoo, Sudhir K."},{"first_name":"Ivo F.","last_name":"Teixeira","full_name":"Teixeira, Ivo F."},{"full_name":"Naik, Aakash","last_name":"Naik","first_name":"Aakash"},{"last_name":"Heske","first_name":"Julian Joachim","full_name":"Heske, Julian Joachim","id":"53238"},{"first_name":"Daniel","last_name":"Cruz","full_name":"Cruz, Daniel"},{"full_name":"Antonietti, Markus","last_name":"Antonietti","first_name":"Markus"},{"first_name":"Aleksandr","last_name":"Savateev","full_name":"Savateev, Aleksandr"},{"full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas","id":"49079"}],"date_updated":"2022-10-10T08:18:22Z","publication_status":"published","intvolume":"       125","language":[{"iso":"eng"}],"doi":"10.1021/acs.jpcc.1c03947","issue":"25","publication":"The Journal of Physical Chemistry C","date_created":"2022-10-10T08:17:26Z","keyword":["Surfaces","Coatings and Films","Physical and Theoretical Chemistry","General Energy","Electronic","Optical and Magnetic Materials"],"type":"journal_article","department":[{"_id":"613"}],"status":"public","page":"13749-13758","_id":"33651","publisher":"American Chemical Society (ACS)","user_id":"71051","volume":125,"citation":{"apa":"Sahoo, S. K., Teixeira, I. F., Naik, A., Heske, J. J., Cruz, D., Antonietti, M., Savateev, A., &#38; Kühne, T. (2021). Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. <i>The Journal of Physical Chemistry C</i>, <i>125</i>(25), 13749–13758. <a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">https://doi.org/10.1021/acs.jpcc.1c03947</a>","ieee":"S. K. Sahoo <i>et al.</i>, “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials,” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 25, pp. 13749–13758, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>.","chicago":"Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske, Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” <i>The Journal of Physical Chemistry C</i> 125, no. 25 (2021): 13749–58. <a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">https://doi.org/10.1021/acs.jpcc.1c03947</a>.","short":"S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.","mla":"Sahoo, Sudhir K., et al. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 25, American Chemical Society (ACS), 2021, pp. 13749–58, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>.","ama":"Sahoo SK, Teixeira IF, Naik A, et al. Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. <i>The Journal of Physical Chemistry C</i>. 2021;125(25):13749-13758. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>","bibtex":"@article{Sahoo_Teixeira_Naik_Heske_Cruz_Antonietti_Savateev_Kühne_2021, title={Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>}, number={25}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Sahoo, Sudhir K. and Teixeira, Ivo F. and Naik, Aakash and Heske, Julian Joachim and Cruz, Daniel and Antonietti, Markus and Savateev, Aleksandr and Kühne, Thomas}, year={2021}, pages={13749–13758} }"}},{"citation":{"short":"H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).","chicago":"Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” <i>Computational Materials Science</i> 197 (2021). <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">https://doi.org/10.1016/j.commatsci.2021.110567</a>.","ieee":"H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An automated approach for developing neural network interatomic potentials with FLAME,” <i>Computational Materials Science</i>, vol. 197, Art. no. 110567, 2021, doi: <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>.","apa":"Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., &#38; Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. <i>Computational Materials Science</i>, <i>197</i>, Article 110567. <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">https://doi.org/10.1016/j.commatsci.2021.110567</a>","bibtex":"@article{Mirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title={An automated approach for developing neural network interatomic potentials with FLAME}, volume={197}, DOI={<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>}, number={110567}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and Ghasemi, Alireza and Kühne, Thomas}, year={2021} }","ama":"Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach for developing neural network interatomic potentials with FLAME. <i>Computational Materials Science</i>. 2021;197. doi:<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>","mla":"Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” <i>Computational Materials Science</i>, vol. 197, 110567, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>."},"status":"public","volume":197,"user_id":"71051","publisher":"Elsevier BV","_id":"33657","publication":"Computational Materials Science","department":[{"_id":"613"}],"keyword":["Computational Mathematics","General Physics and Astronomy","Mechanics of Materials","General Materials Science","General Chemistry","General Computer Science"],"type":"journal_article","date_created":"2022-10-10T08:23:50Z","intvolume":"       197","publication_status":"published","date_updated":"2022-10-10T08:24:13Z","author":[{"full_name":"Mirhosseini, Hossein","orcid":"0000-0001-6179-1545","first_name":"Hossein","last_name":"Mirhosseini","id":"71051"},{"first_name":"Hossein","last_name":"Tahmasbi","full_name":"Tahmasbi, Hossein"},{"full_name":"Kuchana, Sai Ram","first_name":"Sai Ram","last_name":"Kuchana"},{"id":"77282","first_name":"Alireza","last_name":"Ghasemi","full_name":"Ghasemi, Alireza"},{"id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas","last_name":"Kühne"}],"publication_identifier":{"issn":["0927-0256"]},"title":"An automated approach for developing neural network interatomic potentials with FLAME","year":"2021","doi":"10.1016/j.commatsci.2021.110567","language":[{"iso":"eng"}],"article_number":"110567"},{"editor":[{"full_name":"Razeghi, Manijeh","first_name":"Manijeh","last_name":"Razeghi"},{"last_name":"Baranov","first_name":"Alexei N.","full_name":"Baranov, Alexei N."}],"user_id":"71051","doi":"10.1117/12.2594143","_id":"33654","publisher":"SPIE","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2022-10-10T08:22:17Z","author":[{"full_name":"Balos, Vasileios","last_name":"Balos","first_name":"Vasileios"},{"id":"60250","first_name":"Hossam","last_name":"Elgabarty","orcid":"0000-0002-4945-1481","full_name":"Elgabarty, Hossam"},{"full_name":"Wolf, Martin","last_name":"Wolf","first_name":"Martin"},{"last_name":"Kühne","first_name":"Thomas","full_name":"Kühne, Thomas","id":"49079"},{"full_name":"Netz, Roland","first_name":"Roland","last_name":"Netz"},{"first_name":"Douwe Jan","last_name":"Bonthuis","full_name":"Bonthuis, Douwe Jan"},{"last_name":"Kaliannan","first_name":"Naveen","full_name":"Kaliannan, Naveen"},{"last_name":"Loche","first_name":"Philip","full_name":"Loche, Philip"},{"full_name":"Kampfrath, Tobias","first_name":"Tobias","last_name":"Kampfrath"},{"full_name":"Sajadi, Mohsen","first_name":"Mohsen","last_name":"Sajadi"}],"status":"public","year":"2021","title":"Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields","department":[{"_id":"613"}],"type":"conference","date_created":"2022-10-10T08:21:46Z","citation":{"bibtex":"@inproceedings{Balos_Elgabarty_Wolf_Kühne_Netz_Bonthuis_Kaliannan_Loche_Kampfrath_Sajadi_2021, title={Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields}, DOI={<a href=\"https://doi.org/10.1117/12.2594143\">10.1117/12.2594143</a>}, booktitle={Terahertz Emitters, Receivers, and Applications XII}, publisher={SPIE}, author={Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip and Kampfrath, Tobias and Sajadi, Mohsen}, editor={Razeghi, Manijeh and Baranov, Alexei N.}, year={2021} }","ama":"Balos V, Elgabarty H, Wolf M, et al. Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields. In: Razeghi M, Baranov AN, eds. <i>Terahertz Emitters, Receivers, and Applications XII</i>. SPIE; 2021. doi:<a href=\"https://doi.org/10.1117/12.2594143\">10.1117/12.2594143</a>","mla":"Balos, Vasileios, et al. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven by Single-Cycle THz Electric Fields.” <i>Terahertz Emitters, Receivers, and Applications XII</i>, edited by Manijeh Razeghi and Alexei N. Baranov, SPIE, 2021, doi:<a href=\"https://doi.org/10.1117/12.2594143\">10.1117/12.2594143</a>.","short":"V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan, P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII, SPIE, 2021.","chicago":"Balos, Vasileios, Hossam Elgabarty, Martin Wolf, Thomas Kühne, Roland Netz, Douwe Jan Bonthuis, Naveen Kaliannan, Philip Loche, Tobias Kampfrath, and Mohsen Sajadi. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven by Single-Cycle THz Electric Fields.” In <i>Terahertz Emitters, Receivers, and Applications XII</i>, edited by Manijeh Razeghi and Alexei N. Baranov. SPIE, 2021. <a href=\"https://doi.org/10.1117/12.2594143\">https://doi.org/10.1117/12.2594143</a>.","ieee":"V. Balos <i>et al.</i>, “Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields,” in <i>Terahertz Emitters, Receivers, and Applications XII</i>, 2021, doi: <a href=\"https://doi.org/10.1117/12.2594143\">10.1117/12.2594143</a>.","apa":"Balos, V., Elgabarty, H., Wolf, M., Kühne, T., Netz, R., Bonthuis, D. J., Kaliannan, N., Loche, P., Kampfrath, T., &#38; Sajadi, M. (2021). Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields. In M. Razeghi &#38; A. N. Baranov (Eds.), <i>Terahertz Emitters, Receivers, and Applications XII</i>. SPIE. <a href=\"https://doi.org/10.1117/12.2594143\">https://doi.org/10.1117/12.2594143</a>"},"publication":"Terahertz Emitters, Receivers, and Applications XII"},{"publication":"Carbon","type":"journal_article","keyword":["General Chemistry","General Materials Science"],"department":[{"_id":"613"}],"date_created":"2022-10-10T08:23:22Z","publication_status":"published","date_updated":"2022-10-10T08:23:35Z","intvolume":"       181","title":"A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states","year":"2021","author":[{"full_name":"Wang, Mengying","first_name":"Mengying","last_name":"Wang"},{"full_name":"Ranjbar, Ahmad","last_name":"Ranjbar","first_name":"Ahmad"},{"id":"49079","full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas"},{"full_name":"Belosludov, Rodion V.","first_name":"Rodion V.","last_name":"Belosludov"},{"last_name":"Kawazoe","first_name":"Yoshiyuki","full_name":"Kawazoe, Yoshiyuki"},{"last_name":"Liang","first_name":"Yunye","full_name":"Liang, Yunye"}],"publication_identifier":{"issn":["0008-6223"]},"doi":"10.1016/j.carbon.2021.05.026","language":[{"iso":"eng"}],"citation":{"ama":"Wang M, Ranjbar A, Kühne T, Belosludov RV, Kawazoe Y, Liang Y. A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states. <i>Carbon</i>. 2021;181:370-378. doi:<a href=\"https://doi.org/10.1016/j.carbon.2021.05.026\">10.1016/j.carbon.2021.05.026</a>","bibtex":"@article{Wang_Ranjbar_Kühne_Belosludov_Kawazoe_Liang_2021, title={A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states}, volume={181}, DOI={<a href=\"https://doi.org/10.1016/j.carbon.2021.05.026\">10.1016/j.carbon.2021.05.026</a>}, journal={Carbon}, publisher={Elsevier BV}, author={Wang, Mengying and Ranjbar, Ahmad and Kühne, Thomas and Belosludov, Rodion V. and Kawazoe, Yoshiyuki and Liang, Yunye}, year={2021}, pages={370–378} }","mla":"Wang, Mengying, et al. “A Theoretical Investigation of Topological Phase Modulation in Carbide MXenes: Role of Image Potential States.” <i>Carbon</i>, vol. 181, Elsevier BV, 2021, pp. 370–78, doi:<a href=\"https://doi.org/10.1016/j.carbon.2021.05.026\">10.1016/j.carbon.2021.05.026</a>.","short":"M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon 181 (2021) 370–378.","chicago":"Wang, Mengying, Ahmad Ranjbar, Thomas Kühne, Rodion V. Belosludov, Yoshiyuki Kawazoe, and Yunye Liang. “A Theoretical Investigation of Topological Phase Modulation in Carbide MXenes: Role of Image Potential States.” <i>Carbon</i> 181 (2021): 370–78. <a href=\"https://doi.org/10.1016/j.carbon.2021.05.026\">https://doi.org/10.1016/j.carbon.2021.05.026</a>.","apa":"Wang, M., Ranjbar, A., Kühne, T., Belosludov, R. V., Kawazoe, Y., &#38; Liang, Y. (2021). A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states. <i>Carbon</i>, <i>181</i>, 370–378. <a href=\"https://doi.org/10.1016/j.carbon.2021.05.026\">https://doi.org/10.1016/j.carbon.2021.05.026</a>","ieee":"M. Wang, A. Ranjbar, T. Kühne, R. V. Belosludov, Y. Kawazoe, and Y. Liang, “A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states,” <i>Carbon</i>, vol. 181, pp. 370–378, 2021, doi: <a href=\"https://doi.org/10.1016/j.carbon.2021.05.026\">10.1016/j.carbon.2021.05.026</a>."},"status":"public","user_id":"71051","volume":181,"page":"370-378","_id":"33656","publisher":"Elsevier BV"},{"citation":{"bibtex":"@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>}, number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }","ama":"Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>. 2021;5(1). doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>","mla":"Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","short":"A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).","chicago":"Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i> 5, no. 1 (2021). <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>.","ieee":"A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, Art. no. 015001, 2021, doi: <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","apa":"Ranjbar, A., Mirhosseini, H., &#38; Kühne, T. (2021). On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>, <i>5</i>(1), Article 015001. <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>"},"user_id":"71051","volume":5,"publisher":"IOP Publishing","_id":"33659","status":"public","keyword":["Condensed Matter Physics","General Materials Science","Atomic and Molecular Physics","and Optics"],"type":"journal_article","department":[{"_id":"613"}],"date_created":"2022-10-10T08:25:19Z","abstract":[{"text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.</jats:p>","lang":"eng"}],"publication":"Journal of Physics: Materials","issue":"1","doi":"10.1088/2515-7639/ac363d","article_number":"015001","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2022-10-10T08:25:30Z","intvolume":"         5","year":"2021","title":"On topological materials as photocatalysts for water splitting by visible light","publication_identifier":{"issn":["2515-7639"]},"author":[{"first_name":"Ahmad","last_name":"Ranjbar","full_name":"Ranjbar, Ahmad"},{"id":"71051","first_name":"Hossein","last_name":"Mirhosseini","orcid":"0000-0001-6179-1545","full_name":"Mirhosseini, Hossein"},{"id":"49079","full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas"}]},{"citation":{"bibtex":"@article{da Silva_Silva_Xue_Lo_Tarakina_Nunes_Adler_Sahoo_Bahnemann_López-Salas_et al._2021, title={Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst}, volume={304}, DOI={<a href=\"https://doi.org/10.1016/j.apcatb.2021.120965\">10.1016/j.apcatb.2021.120965</a>}, number={120965}, journal={Applied Catalysis B: Environmental}, publisher={Elsevier BV}, author={da Silva, Marcos A.R. and Silva, Ingrid F. and Xue, Qi and Lo, Benedict T.W. and Tarakina, Nadezda V. and Nunes, Barbara N. and Adler, Peter and Sahoo, Sudhir K. and Bahnemann, Detlef W. and López-Salas, Nieves and et al.}, year={2021} }","ama":"da Silva MAR, Silva IF, Xue Q, et al. Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst. <i>Applied Catalysis B: Environmental</i>. 2021;304. doi:<a href=\"https://doi.org/10.1016/j.apcatb.2021.120965\">10.1016/j.apcatb.2021.120965</a>","mla":"da Silva, Marcos A. R., et al. “Sustainable Oxidation Catalysis Supported by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.” <i>Applied Catalysis B: Environmental</i>, vol. 304, 120965, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.apcatb.2021.120965\">10.1016/j.apcatb.2021.120965</a>.","short":"M.A.R. da Silva, I.F. Silva, Q. Xue, B.T.W. Lo, N.V. Tarakina, B.N. Nunes, P. Adler, S.K. Sahoo, D.W. Bahnemann, N. López-Salas, A. Savateev, C. Ribeiro, T. Kühne, M. Antonietti, I.F. Teixeira, Applied Catalysis B: Environmental 304 (2021).","chicago":"Silva, Marcos A.R. da, Ingrid F. Silva, Qi Xue, Benedict T.W. Lo, Nadezda V. Tarakina, Barbara N. Nunes, Peter Adler, et al. “Sustainable Oxidation Catalysis Supported by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.” <i>Applied Catalysis B: Environmental</i> 304 (2021). <a href=\"https://doi.org/10.1016/j.apcatb.2021.120965\">https://doi.org/10.1016/j.apcatb.2021.120965</a>.","ieee":"M. A. R. da Silva <i>et al.</i>, “Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst,” <i>Applied Catalysis B: Environmental</i>, vol. 304, Art. no. 120965, 2021, doi: <a href=\"https://doi.org/10.1016/j.apcatb.2021.120965\">10.1016/j.apcatb.2021.120965</a>.","apa":"da Silva, M. A. R., Silva, I. F., Xue, Q., Lo, B. T. W., Tarakina, N. V., Nunes, B. N., Adler, P., Sahoo, S. K., Bahnemann, D. W., López-Salas, N., Savateev, A., Ribeiro, C., Kühne, T., Antonietti, M., &#38; Teixeira, I. F. (2021). Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst. <i>Applied Catalysis B: Environmental</i>, <i>304</i>, Article 120965. <a href=\"https://doi.org/10.1016/j.apcatb.2021.120965\">https://doi.org/10.1016/j.apcatb.2021.120965</a>"},"_id":"33681","publisher":"Elsevier BV","user_id":"71051","volume":304,"status":"public","date_created":"2022-10-11T08:14:22Z","keyword":["Process Chemistry and Technology","General Environmental Science","Catalysis"],"type":"journal_article","department":[{"_id":"613"}],"publication":"Applied Catalysis B: Environmental","article_number":"120965","language":[{"iso":"eng"}],"doi":"10.1016/j.apcatb.2021.120965","title":"Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst","year":"2021","publication_identifier":{"issn":["0926-3373"]},"author":[{"full_name":"da Silva, Marcos A.R.","last_name":"da Silva","first_name":"Marcos A.R."},{"full_name":"Silva, Ingrid F.","first_name":"Ingrid F.","last_name":"Silva"},{"full_name":"Xue, Qi","first_name":"Qi","last_name":"Xue"},{"first_name":"Benedict T.W.","last_name":"Lo","full_name":"Lo, Benedict T.W."},{"first_name":"Nadezda V.","last_name":"Tarakina","full_name":"Tarakina, Nadezda V."},{"full_name":"Nunes, Barbara N.","last_name":"Nunes","first_name":"Barbara N."},{"full_name":"Adler, Peter","last_name":"Adler","first_name":"Peter"},{"full_name":"Sahoo, Sudhir K.","first_name":"Sudhir K.","last_name":"Sahoo"},{"last_name":"Bahnemann","first_name":"Detlef W.","full_name":"Bahnemann, Detlef W."},{"full_name":"López-Salas, Nieves","first_name":"Nieves","last_name":"López-Salas"},{"full_name":"Savateev, Aleksandr","last_name":"Savateev","first_name":"Aleksandr"},{"full_name":"Ribeiro, Caue","first_name":"Caue","last_name":"Ribeiro"},{"id":"49079","last_name":"Kühne","first_name":"Thomas","full_name":"Kühne, Thomas"},{"last_name":"Antonietti","first_name":"Markus","full_name":"Antonietti, Markus"},{"full_name":"Teixeira, Ivo F.","last_name":"Teixeira","first_name":"Ivo F."}],"publication_status":"published","date_updated":"2022-10-11T08:14:47Z","intvolume":"       304"},{"citation":{"bibtex":"@article{Mai_Maniar_Zysk_Schöbel_Kühne_Loos_Devi_2021, title={Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum}, volume={51}, DOI={<a href=\"https://doi.org/10.1039/d1dt03753f\">10.1039/d1dt03753f</a>}, number={4}, journal={Dalton Transactions}, publisher={Royal Society of Chemistry (RSC)}, author={Mai, Lukas and Maniar, Dina and Zysk, Frederik and Schöbel, Judith and Kühne, Thomas and Loos, Katja and Devi, Anjana}, year={2021}, pages={1384–1394} }","ama":"Mai L, Maniar D, Zysk F, et al. Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum. <i>Dalton Transactions</i>. 2021;51(4):1384-1394. doi:<a href=\"https://doi.org/10.1039/d1dt03753f\">10.1039/d1dt03753f</a>","mla":"Mai, Lukas, et al. “Influence of Different Ester Side Groups in Polymers on the Vapor Phase Infiltration with Trimethyl Aluminum.” <i>Dalton Transactions</i>, vol. 51, no. 4, Royal Society of Chemistry (RSC), 2021, pp. 1384–94, doi:<a href=\"https://doi.org/10.1039/d1dt03753f\">10.1039/d1dt03753f</a>.","short":"L. Mai, D. Maniar, F. Zysk, J. Schöbel, T. Kühne, K. Loos, A. Devi, Dalton Transactions 51 (2021) 1384–1394.","chicago":"Mai, Lukas, Dina Maniar, Frederik Zysk, Judith Schöbel, Thomas Kühne, Katja Loos, and Anjana Devi. “Influence of Different Ester Side Groups in Polymers on the Vapor Phase Infiltration with Trimethyl Aluminum.” <i>Dalton Transactions</i> 51, no. 4 (2021): 1384–94. <a href=\"https://doi.org/10.1039/d1dt03753f\">https://doi.org/10.1039/d1dt03753f</a>.","ieee":"L. Mai <i>et al.</i>, “Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum,” <i>Dalton Transactions</i>, vol. 51, no. 4, pp. 1384–1394, 2021, doi: <a href=\"https://doi.org/10.1039/d1dt03753f\">10.1039/d1dt03753f</a>.","apa":"Mai, L., Maniar, D., Zysk, F., Schöbel, J., Kühne, T., Loos, K., &#38; Devi, A. (2021). Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum. <i>Dalton Transactions</i>, <i>51</i>(4), 1384–1394. <a href=\"https://doi.org/10.1039/d1dt03753f\">https://doi.org/10.1039/d1dt03753f</a>"},"status":"public","user_id":"71051","volume":51,"page":"1384-1394","publisher":"Royal Society of Chemistry (RSC)","_id":"33675","abstract":[{"text":"<jats:p>The influence of different polymer side chains on the vapor phase infiltration with TMA is investigated and supported by DFT-calculations.</jats:p>","lang":"eng"}],"publication":"Dalton Transactions","issue":"4","keyword":["Inorganic Chemistry"],"type":"journal_article","department":[{"_id":"613"}],"date_created":"2022-10-11T08:08:11Z","date_updated":"2022-10-11T08:08:35Z","publication_status":"published","intvolume":"        51","title":"Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum","year":"2021","publication_identifier":{"issn":["1477-9226","1477-9234"]},"author":[{"first_name":"Lukas","last_name":"Mai","full_name":"Mai, Lukas"},{"first_name":"Dina","last_name":"Maniar","full_name":"Maniar, Dina"},{"id":"14757","last_name":"Zysk","first_name":"Frederik","full_name":"Zysk, Frederik"},{"first_name":"Judith","last_name":"Schöbel","full_name":"Schöbel, Judith"},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"},{"full_name":"Loos, Katja","first_name":"Katja","last_name":"Loos"},{"last_name":"Devi","first_name":"Anjana","full_name":"Devi, Anjana"}],"doi":"10.1039/d1dt03753f","language":[{"iso":"eng"}]},{"oa":"1","project":[{"name":"TRR 142","_id":"53"}],"citation":{"short":"J.P. Höpker, V.B. Verma, M. Protte, R. Ricken, V. Quiring, C. Eigner, L. Ebers, M. Hammer, J. Förstner, C. Silberhorn, R.P. Mirin, S. Woo Nam, T. Bartley, Journal of Physics: Photonics 3 (2021) 034022.","chicago":"Höpker, Jan Philipp, Varun B Verma, Maximilian Protte, Raimund Ricken, Viktor Quiring, Christof Eigner, Lena Ebers, et al. “Integrated Superconducting Nanowire Single-Photon Detectors on Titanium in-Diffused Lithium Niobate Waveguides.” <i>Journal of Physics: Photonics</i> 3 (2021): 034022. <a href=\"https://doi.org/10.1088/2515-7647/ac105b\">https://doi.org/10.1088/2515-7647/ac105b</a>.","ieee":"J. P. Höpker <i>et al.</i>, “Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides,” <i>Journal of Physics: Photonics</i>, vol. 3, p. 034022, 2021, doi: <a href=\"https://doi.org/10.1088/2515-7647/ac105b\">10.1088/2515-7647/ac105b</a>.","apa":"Höpker, J. P., Verma, V. B., Protte, M., Ricken, R., Quiring, V., Eigner, C., Ebers, L., Hammer, M., Förstner, J., Silberhorn, C., Mirin, R. P., Woo Nam, S., &#38; Bartley, T. (2021). Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides. <i>Journal of Physics: Photonics</i>, <i>3</i>, 034022. <a href=\"https://doi.org/10.1088/2515-7647/ac105b\">https://doi.org/10.1088/2515-7647/ac105b</a>","bibtex":"@article{Höpker_Verma_Protte_Ricken_Quiring_Eigner_Ebers_Hammer_Förstner_Silberhorn_et al._2021, title={Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides}, volume={3}, DOI={<a href=\"https://doi.org/10.1088/2515-7647/ac105b\">10.1088/2515-7647/ac105b</a>}, journal={Journal of Physics: Photonics}, author={Höpker, Jan Philipp and Verma, Varun B and Protte, Maximilian and Ricken, Raimund and Quiring, Viktor and Eigner, Christof and Ebers, Lena and Hammer, Manfred and Förstner, Jens and Silberhorn, Christine and et al.}, year={2021}, pages={034022} }","ama":"Höpker JP, Verma VB, Protte M, et al. Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides. <i>Journal of Physics: Photonics</i>. 2021;3:034022. doi:<a href=\"https://doi.org/10.1088/2515-7647/ac105b\">10.1088/2515-7647/ac105b</a>","mla":"Höpker, Jan Philipp, et al. “Integrated Superconducting Nanowire Single-Photon Detectors on Titanium in-Diffused Lithium Niobate Waveguides.” <i>Journal of Physics: Photonics</i>, vol. 3, 2021, p. 034022, doi:<a href=\"https://doi.org/10.1088/2515-7647/ac105b\">10.1088/2515-7647/ac105b</a>."},"file_date_updated":"2021-09-07T07:41:04Z","volume":3,"user_id":"49683","ddc":["530"],"_id":"23728","page":"034022","has_accepted_license":"1","status":"public","department":[{"_id":"15"},{"_id":"61"},{"_id":"230"}],"type":"journal_article","date_created":"2021-09-03T08:04:06Z","file":[{"creator":"fossie","date_created":"2021-09-07T07:41:04Z","file_name":"2021-07 Höpker J._Phys._Photonics_3_034022.pdf","access_level":"open_access","file_size":1097820,"relation":"main_file","date_updated":"2021-09-07T07:41:04Z","file_id":"23825","content_type":"application/pdf"}],"abstract":[{"text":"We demonstrate the integration of amorphous tungsten silicide superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides. We show proof-of-principle detection of evanescently coupled photons of 1550 nm wavelength using bidirectional waveguide coupling for two orthogonal polarization directions. We investigate the internal detection efficiency as well as detector absorption using coupling-independent characterization measurements. Furthermore, we describe strategies to improve the yield and efficiency of these devices.","lang":"eng"}],"publication":"Journal of Physics: Photonics","doi":"10.1088/2515-7647/ac105b","language":[{"iso":"eng"}],"article_type":"original","intvolume":"         3","publication_status":"published","date_updated":"2022-10-25T07:34:42Z","author":[{"full_name":"Höpker, Jan Philipp","last_name":"Höpker","first_name":"Jan Philipp","id":"33913"},{"last_name":"Verma","first_name":"Varun B","full_name":"Verma, Varun B"},{"last_name":"Protte","first_name":"Maximilian","full_name":"Protte, Maximilian","id":"46170"},{"full_name":"Ricken, Raimund","first_name":"Raimund","last_name":"Ricken"},{"full_name":"Quiring, Viktor","last_name":"Quiring","first_name":"Viktor"},{"id":"13244","full_name":"Eigner, Christof","orcid":"https://orcid.org/0000-0002-5693-3083","last_name":"Eigner","first_name":"Christof"},{"full_name":"Ebers, Lena","last_name":"Ebers","first_name":"Lena","id":"40428"},{"first_name":"Manfred","orcid":"0000-0002-6331-9348","last_name":"Hammer","full_name":"Hammer, Manfred","id":"48077"},{"id":"158","full_name":"Förstner, Jens","orcid":"0000-0001-7059-9862","last_name":"Förstner","first_name":"Jens"},{"id":"26263","full_name":"Silberhorn, Christine","last_name":"Silberhorn","first_name":"Christine"},{"first_name":"Richard P","last_name":"Mirin","full_name":"Mirin, Richard P"},{"last_name":"Woo Nam","first_name":"Sae","full_name":"Woo Nam, Sae"},{"last_name":"Bartley","first_name":"Tim","full_name":"Bartley, Tim","id":"49683"}],"publication_identifier":{"issn":["2515-7647"]},"year":"2021","title":"Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides"},{"citation":{"ieee":"S. Knust <i>et al.</i>, “In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma,” <i>Journal of Raman Spectroscopy</i>, vol. 52, no. 7, pp. 1237–1245, 2021, doi: <a href=\"https://doi.org/10.1002/jrs.6123\">10.1002/jrs.6123</a>.","apa":"Knust, S., Ruhm, L., Kuhlmann, A., Meinderink, D., Bürger, J., Lindner, J., de los Arcos de Pedro, M. T., &#38; Grundmeier, G. (2021). In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma. <i>Journal of Raman Spectroscopy</i>, <i>52</i>(7), 1237–1245. <a href=\"https://doi.org/10.1002/jrs.6123\">https://doi.org/10.1002/jrs.6123</a>","chicago":"Knust, Steffen, Lukas Ruhm, Andreas Kuhlmann, Dennis Meinderink, Julius Bürger, Jörg Lindner, Maria Teresa de los Arcos de Pedro, and Guido Grundmeier. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” <i>Journal of Raman Spectroscopy</i> 52, no. 7 (2021): 1237–45. <a href=\"https://doi.org/10.1002/jrs.6123\">https://doi.org/10.1002/jrs.6123</a>.","short":"S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J. Lindner, M.T. de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy 52 (2021) 1237–1245.","mla":"Knust, Steffen, et al. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” <i>Journal of Raman Spectroscopy</i>, vol. 52, no. 7, Wiley, 2021, pp. 1237–45, doi:<a href=\"https://doi.org/10.1002/jrs.6123\">10.1002/jrs.6123</a>.","bibtex":"@article{Knust_Ruhm_Kuhlmann_Meinderink_Bürger_Lindner_de los Arcos de Pedro_Grundmeier_2021, title={In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma}, volume={52}, DOI={<a href=\"https://doi.org/10.1002/jrs.6123\">10.1002/jrs.6123</a>}, number={7}, journal={Journal of Raman Spectroscopy}, publisher={Wiley}, author={Knust, Steffen and Ruhm, Lukas and Kuhlmann, Andreas and Meinderink, Dennis and Bürger, Julius and Lindner, Jörg and de los Arcos de Pedro, Maria Teresa and Grundmeier, Guido}, year={2021}, pages={1237–1245} }","ama":"Knust S, Ruhm L, Kuhlmann A, et al. In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma. <i>Journal of Raman Spectroscopy</i>. 2021;52(7):1237-1245. doi:<a href=\"https://doi.org/10.1002/jrs.6123\">10.1002/jrs.6123</a>"},"publisher":"Wiley","_id":"34087","page":"1237-1245","volume":52,"user_id":"77496","status":"public","date_created":"2022-11-15T14:08:53Z","department":[{"_id":"15"}],"keyword":["Spectroscopy","General Materials Science"],"type":"journal_article","publication":"Journal of Raman Spectroscopy","issue":"7","language":[{"iso":"eng"}],"doi":"10.1002/jrs.6123","author":[{"full_name":"Knust, Steffen","first_name":"Steffen","last_name":"Knust"},{"first_name":"Lukas","last_name":"Ruhm","full_name":"Ruhm, Lukas"},{"full_name":"Kuhlmann, Andreas","first_name":"Andreas","last_name":"Kuhlmann"},{"first_name":"Dennis","orcid":"0000-0002-2755-6514","last_name":"Meinderink","full_name":"Meinderink, Dennis","id":"32378"},{"id":"46952","last_name":"Bürger","first_name":"Julius","full_name":"Bürger, Julius"},{"full_name":"Lindner, Jörg","last_name":"Lindner","first_name":"Jörg","id":"20797"},{"id":"54556","full_name":"de los Arcos de Pedro, Maria Teresa","first_name":"Maria Teresa","last_name":"de los Arcos de Pedro"},{"id":"194","full_name":"Grundmeier, Guido","last_name":"Grundmeier","first_name":"Guido"}],"publication_identifier":{"issn":["0377-0486","1097-4555"]},"year":"2021","title":"In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma","intvolume":"        52","publication_status":"published","date_updated":"2023-01-04T14:51:10Z"},{"abstract":[{"text":"<jats:title>Abstract</jats:title><jats:sec>\r\n                <jats:title>Purpose</jats:title>\r\n                <jats:p>Studies about effects of lunch dietary Glycemic Index (GI) on cognition of schoolchildren are scarce. Our previous CogniDo GI study found no changes of cognition in the early postprandial phase after consumption of two rice types with medium vs. high dietary GI for lunch (i.e., 45 min after starting lunch). This study investigated whether the dietary GI of lunch has an impact on cognition of schoolchildren in the late postprandial phase, 90 min after lunch.</jats:p>\r\n              </jats:sec><jats:sec>\r\n                <jats:title>Methods</jats:title>\r\n                <jats:p>A randomized, 2 × 2 crossover intervention study was conducted at a comprehensive school with 5th and 6th grade students. Participants (<jats:italic>n</jats:italic> = 212) were randomly assigned to either sequence 1 or 2. In the first period, participants of sequence 1 received a dish with high GI rice (GI: 79), those of sequence 2 with medium GI rice (GI: 64)—in the second period, 1 week later, vice versa. Computer-based cognitive testing was performed 90 min after lunch examining tonic alertness, visual search and task switching, and working memory. Treatment effects and treatment effects adjusted for estimated lunch glycemic load (GL) were analyzed using a linear mixed model.</jats:p>\r\n              </jats:sec><jats:sec>\r\n                <jats:title>Results</jats:title>\r\n                <jats:p>The selected cognitive parameters were not affected by the GI of lunch 90 min after lunch, neither after intention-to-treat nor in the per-protocol analysis. Adjustment for GL also did not change results.</jats:p>\r\n              </jats:sec><jats:sec>\r\n                <jats:title>Conclusion</jats:title>\r\n                <jats:p>The present study revealed no notable differences after the consumption of two rice types with medium vs. high dietary GI for lunch in children’s cognitive function in the late postprandial phase, 90 min after lunch.</jats:p>\r\n              </jats:sec><jats:sec>\r\n                <jats:title>Clinical trial registration</jats:title>\r\n                <jats:p>German Clinical Trials Register (DRKS00013597); date of registration: 16/04/2018, retrospectively registered.</jats:p>\r\n              </jats:sec>","lang":"eng"}],"publication":"European Journal of Nutrition","issue":"3","department":[{"_id":"35"},{"_id":"17"},{"_id":"22"},{"_id":"571"},{"_id":"395"}],"keyword":["Nutrition and Dietetics","Medicine (miscellaneous)"],"type":"journal_article","date_created":"2023-01-05T14:49:10Z","intvolume":"        61","publication_status":"published","date_updated":"2023-01-05T16:47:16Z","publication_identifier":{"issn":["1436-6207","1436-6215"]},"author":[{"full_name":"Drozdowska, Alina","first_name":"Alina","last_name":"Drozdowska"},{"full_name":"Sinningen, Kathrin","first_name":"Kathrin","last_name":"Sinningen"},{"full_name":"Falkenstein, Michael","last_name":"Falkenstein","first_name":"Michael"},{"last_name":"Rudolf","first_name":"Henrik","full_name":"Rudolf, Henrik"},{"last_name":"Libuda","orcid":"0000-0003-1603-3133","first_name":"Lars","full_name":"Libuda, Lars","id":"88682"},{"id":"65985","last_name":"Buyken","first_name":"Anette","full_name":"Buyken, Anette"},{"last_name":"Lücke","first_name":"Thomas","full_name":"Lücke, Thomas"},{"full_name":"Kersting, Mathilde","first_name":"Mathilde","last_name":"Kersting"}],"title":"Impact of lunch with carbohydrates differing in glycemic index on children's cognitive functioning in the late postprandial phase: a randomized crossover study","year":"2021","doi":"10.1007/s00394-021-02766-y","language":[{"iso":"eng"}],"citation":{"mla":"Drozdowska, Alina, et al. “Impact of Lunch with Carbohydrates Differing in Glycemic Index on Children’s Cognitive Functioning in the Late Postprandial Phase: A Randomized Crossover Study.” <i>European Journal of Nutrition</i>, vol. 61, no. 3, Springer Science and Business Media LLC, 2021, pp. 1637–47, doi:<a href=\"https://doi.org/10.1007/s00394-021-02766-y\">10.1007/s00394-021-02766-y</a>.","ama":"Drozdowska A, Sinningen K, Falkenstein M, et al. Impact of lunch with carbohydrates differing in glycemic index on children’s cognitive functioning in the late postprandial phase: a randomized crossover study. <i>European Journal of Nutrition</i>. 2021;61(3):1637-1647. doi:<a href=\"https://doi.org/10.1007/s00394-021-02766-y\">10.1007/s00394-021-02766-y</a>","bibtex":"@article{Drozdowska_Sinningen_Falkenstein_Rudolf_Libuda_Buyken_Lücke_Kersting_2021, title={Impact of lunch with carbohydrates differing in glycemic index on children’s cognitive functioning in the late postprandial phase: a randomized crossover study}, volume={61}, DOI={<a href=\"https://doi.org/10.1007/s00394-021-02766-y\">10.1007/s00394-021-02766-y</a>}, number={3}, journal={European Journal of Nutrition}, publisher={Springer Science and Business Media LLC}, author={Drozdowska, Alina and Sinningen, Kathrin and Falkenstein, Michael and Rudolf, Henrik and Libuda, Lars and Buyken, Anette and Lücke, Thomas and Kersting, Mathilde}, year={2021}, pages={1637–1647} }","apa":"Drozdowska, A., Sinningen, K., Falkenstein, M., Rudolf, H., Libuda, L., Buyken, A., Lücke, T., &#38; Kersting, M. (2021). Impact of lunch with carbohydrates differing in glycemic index on children’s cognitive functioning in the late postprandial phase: a randomized crossover study. <i>European Journal of Nutrition</i>, <i>61</i>(3), 1637–1647. <a href=\"https://doi.org/10.1007/s00394-021-02766-y\">https://doi.org/10.1007/s00394-021-02766-y</a>","ieee":"A. Drozdowska <i>et al.</i>, “Impact of lunch with carbohydrates differing in glycemic index on children’s cognitive functioning in the late postprandial phase: a randomized crossover study,” <i>European Journal of Nutrition</i>, vol. 61, no. 3, pp. 1637–1647, 2021, doi: <a href=\"https://doi.org/10.1007/s00394-021-02766-y\">10.1007/s00394-021-02766-y</a>.","chicago":"Drozdowska, Alina, Kathrin Sinningen, Michael Falkenstein, Henrik Rudolf, Lars Libuda, Anette Buyken, Thomas Lücke, and Mathilde Kersting. “Impact of Lunch with Carbohydrates Differing in Glycemic Index on Children’s Cognitive Functioning in the Late Postprandial Phase: A Randomized Crossover Study.” <i>European Journal of Nutrition</i> 61, no. 3 (2021): 1637–47. <a href=\"https://doi.org/10.1007/s00394-021-02766-y\">https://doi.org/10.1007/s00394-021-02766-y</a>.","short":"A. Drozdowska, K. Sinningen, M. Falkenstein, H. Rudolf, L. Libuda, A. Buyken, T. Lücke, M. Kersting, European Journal of Nutrition 61 (2021) 1637–1647."},"status":"public","volume":61,"user_id":"61597","_id":"35303","publisher":"Springer Science and Business Media LLC","page":"1637-1647"},{"doi":"10.1016/j.ijheatmasstransfer.2021.121536","language":[{"iso":"eng"}],"article_number":"121536","article_type":"original","intvolume":"       177","publication_status":"published","date_updated":"2023-01-07T10:25:55Z","author":[{"last_name":"Wortmann","first_name":"Martin","full_name":"Wortmann, Martin"},{"full_name":"Viertel, Klaus","first_name":"Klaus","last_name":"Viertel"},{"last_name":"Welle","first_name":"Alexander","full_name":"Welle, Alexander"},{"full_name":"Keil, Waldemar","last_name":"Keil","first_name":"Waldemar"},{"first_name":"Natalie","last_name":"Frese","full_name":"Frese, Natalie"},{"last_name":"Hachmann","first_name":"Wiebke","full_name":"Hachmann, Wiebke"},{"full_name":"Krieger, Philipp","first_name":"Philipp","last_name":"Krieger"},{"last_name":"Brikmann","first_name":"Johannes","full_name":"Brikmann, Johannes"},{"first_name":"Claudia","orcid":"0000-0003-3179-9997","last_name":"Schmidt","full_name":"Schmidt, Claudia","id":"466"},{"full_name":"Moritzer, Elmar","last_name":"Moritzer","first_name":"Elmar","id":"20531"},{"full_name":"Hüsgen, Bruno","last_name":"Hüsgen","first_name":"Bruno"}],"publication_identifier":{"issn":["0017-9310"]},"title":"Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer","year":"2021","department":[{"_id":"2"},{"_id":"9"},{"_id":"315"}],"keyword":["Fluid Flow and Transfer Processes","Mechanical Engineering","Condensed Matter Physics"],"type":"journal_article","date_created":"2023-01-06T12:20:46Z","publication":"International Journal of Heat and Mass Transfer","volume":177,"user_id":"466","_id":"35327","publisher":"Elsevier BV","status":"public","quality_controlled":"1","citation":{"ieee":"M. Wortmann <i>et al.</i>, “Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer,” <i>International Journal of Heat and Mass Transfer</i>, vol. 177, Art. no. 121536, 2021, doi: <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>.","apa":"Wortmann, M., Viertel, K., Welle, A., Keil, W., Frese, N., Hachmann, W., Krieger, P., Brikmann, J., Schmidt, C., Moritzer, E., &#38; Hüsgen, B. (2021). Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. <i>International Journal of Heat and Mass Transfer</i>, <i>177</i>, Article 121536. <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536</a>","chicago":"Wortmann, Martin, Klaus Viertel, Alexander Welle, Waldemar Keil, Natalie Frese, Wiebke Hachmann, Philipp Krieger, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate in Silicone Elastomer.” <i>International Journal of Heat and Mass Transfer</i> 177 (2021). <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536</a>.","short":"M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger, J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat and Mass Transfer 177 (2021).","mla":"Wortmann, Martin, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate in Silicone Elastomer.” <i>International Journal of Heat and Mass Transfer</i>, vol. 177, 121536, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>.","bibtex":"@article{Wortmann_Viertel_Welle_Keil_Frese_Hachmann_Krieger_Brikmann_Schmidt_Moritzer_et al._2021, title={Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer}, volume={177}, DOI={<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>}, number={121536}, journal={International Journal of Heat and Mass Transfer}, publisher={Elsevier BV}, author={Wortmann, Martin and Viertel, Klaus and Welle, Alexander and Keil, Waldemar and Frese, Natalie and Hachmann, Wiebke and Krieger, Philipp and Brikmann, Johannes and Schmidt, Claudia and Moritzer, Elmar and et al.}, year={2021} }","ama":"Wortmann M, Viertel K, Welle A, et al. Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. <i>International Journal of Heat and Mass Transfer</i>. 2021;177. doi:<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>"}}]