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Düsseldorf: VDI-Verlag."}},{"language":[{"iso":"ger"}],"_id":"23533","department":[{"_id":"152"}],"user_id":"77594","status":"public","type":"report","title":"Digitaler Zwilling - WiGeP Positionspapier","date_updated":"2022-01-06T06:55:56Z","publisher":"Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP)","author":[{"first_name":"Rainer","full_name":"Stark, Rainer","last_name":"Stark"},{"first_name":"Klaus-Dieter","full_name":"Thoben, Klaus-Dieter","last_name":"Thoben"},{"full_name":"Gerhard, Detlef","last_name":"Gerhard","first_name":"Detlef"},{"full_name":"Hick, Hannes","last_name":"Hick","first_name":"Hannes"},{"last_name":"Kirchner","full_name":"Kirchner, Eckhard","first_name":"Eckhard"},{"full_name":"Anderl, Reiner","last_name":"Anderl","first_name":"Reiner"},{"full_name":"Wartzack, Sandro","last_name":"Wartzack","first_name":"Sandro"},{"full_name":"Krause, Frank-Lothar","last_name":"Krause","first_name":"Frank-Lothar"},{"last_name":"Gräßler","orcid":"0000-0001-5765-971X","id":"47565","full_name":"Gräßler, Iris","first_name":"Iris"},{"first_name":"Jens","id":"405","full_name":"Pottebaum, Jens","last_name":"Pottebaum","orcid":"http://orcid.org/0000-0001-8778-2989"},{"last_name":"Schleich","full_name":"Schleich, Benjamin","first_name":"Benjamin"},{"last_name":"Stelzer","full_name":"Stelzer, Ralph","first_name":"Ralph"},{"last_name":"Klein","full_name":"Klein, Patrick","first_name":"Patrick"},{"first_name":"Bernhard","full_name":"Saske, Bernhard","last_name":"Saske"},{"full_name":"Czwick, Cordula","last_name":"Czwick","first_name":"Cordula"},{"last_name":"Gogineni","full_name":"Gogineni, Sonika","first_name":"Sonika"},{"first_name":"Lukas","last_name":"Klimmeck","full_name":"Klimmeck, Lukas"},{"first_name":"Matthias","full_name":"Bajzek, Matthias","last_name":"Bajzek"},{"first_name":"Georg","full_name":"Jacobs, Georg","last_name":"Jacobs"},{"last_name":"Berroth","full_name":"Berroth, Joerg","first_name":"Joerg"},{"full_name":"Zimmermann, Thomas","last_name":"Zimmermann","first_name":"Thomas"},{"first_name":"Philipp","full_name":"Kranabitl, Philipp","last_name":"Kranabitl"},{"last_name":"Göckel","full_name":"Göckel, Nicole","first_name":"Nicole"}],"date_created":"2021-08-26T12:31:13Z","year":"2020","citation":{"apa":"Stark, R., Thoben, K.-D., Gerhard, D., Hick, H., Kirchner, E., Anderl, R., Wartzack, S., Krause, F.-L., Gräßler, I., Pottebaum, J., Schleich, B., Stelzer, R., Klein, P., Saske, B., Czwick, C., Gogineni, S., Klimmeck, L., Bajzek, M., Jacobs, G., … Göckel, N. (2020). <i>Digitaler Zwilling - WiGeP Positionspapier</i>. Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP).","mla":"Stark, Rainer, et al. <i>Digitaler Zwilling - WiGeP Positionspapier</i>. Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP), 2020.","bibtex":"@book{Stark_Thoben_Gerhard_Hick_Kirchner_Anderl_Wartzack_Krause_Gräßler_Pottebaum_et al._2020, title={Digitaler Zwilling - WiGeP Positionspapier}, publisher={Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP)}, author={Stark, Rainer and Thoben, Klaus-Dieter and Gerhard, Detlef and Hick, Hannes and Kirchner, Eckhard and Anderl, Reiner and Wartzack, Sandro and Krause, Frank-Lothar and Gräßler, Iris and Pottebaum, Jens and et al.}, year={2020} }","short":"R. Stark, K.-D. Thoben, D. Gerhard, H. Hick, E. Kirchner, R. Anderl, S. Wartzack, F.-L. Krause, I. Gräßler, J. Pottebaum, B. Schleich, R. Stelzer, P. Klein, B. Saske, C. Czwick, S. Gogineni, L. Klimmeck, M. Bajzek, G. Jacobs, J. Berroth, T. Zimmermann, P. Kranabitl, N. Göckel, Digitaler Zwilling - WiGeP Positionspapier, Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP), 2020.","ama":"Stark R, Thoben K-D, Gerhard D, et al. <i>Digitaler Zwilling - WiGeP Positionspapier</i>. Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP); 2020.","ieee":"R. Stark <i>et al.</i>, <i>Digitaler Zwilling - WiGeP Positionspapier</i>. Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP), 2020.","chicago":"Stark, Rainer, Klaus-Dieter Thoben, Detlef Gerhard, Hannes Hick, Eckhard Kirchner, Reiner Anderl, Sandro Wartzack, et al. <i>Digitaler Zwilling - WiGeP Positionspapier</i>. Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP), 2020."}},{"user_id":"84268","department":[{"_id":"633"}],"_id":"23599","language":[{"iso":"eng"}],"type":"journal_article","publication":"Journal of Applied Crystallography","status":"public","abstract":[{"lang":"eng","text":"<jats:p>Grazing-incidence wide-angle X-ray scattering (GIWAXS) has become an increasingly popular technique for quantitative structural characterization and comparison of thin films. For this purpose, accurate intensity normalization and peak position determination are crucial. At present, few tools exist to estimate the uncertainties of these measurements. Here, a simulation package is introduced called <jats:italic>GIWAXS-SIIRkit</jats:italic>, where SIIR stands for scattering intensity, indexing and refraction. The package contains several tools that are freely available for download and can be executed in MATLAB. The package includes three functionalities: estimation of the relative scattering intensity and the corresponding uncertainty based on experimental setup and sample dimensions; extraction and indexing of peak positions to approximate the crystal structure of organic materials starting from calibrated GIWAXS patterns; and analysis of the effects of refraction on peak positions. Each tool is based on a graphical user interface and designed to have a short learning curve. A user guide is provided with detailed usage instruction, tips for adding functionality and customization, and exemplary files.</jats:p>"}],"date_created":"2021-09-01T09:07:00Z","author":[{"full_name":"Savikhin, Victoria","last_name":"Savikhin","first_name":"Victoria"},{"last_name":"Steinrück","orcid":"0000-0001-6373-0877","id":"84268","full_name":"Steinrück, Hans-Georg","first_name":"Hans-Georg"},{"full_name":"Liang, Ru-Ze","last_name":"Liang","first_name":"Ru-Ze"},{"first_name":"Brian A.","full_name":"Collins, Brian A.","last_name":"Collins"},{"first_name":"Stefan D.","full_name":"Oosterhout, Stefan D.","last_name":"Oosterhout"},{"first_name":"Pierre M.","last_name":"Beaujuge","full_name":"Beaujuge, Pierre M."},{"first_name":"Michael F.","full_name":"Toney, Michael F.","last_name":"Toney"}],"volume":53,"date_updated":"2022-01-06T06:55:57Z","doi":"10.1107/s1600576720005476","title":"GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials","publication_status":"published","publication_identifier":{"issn":["1600-5767"]},"citation":{"apa":"Savikhin, V., Steinrück, H.-G., Liang, R.-Z., Collins, B. A., Oosterhout, S. D., Beaujuge, P. M., &#38; Toney, M. F. (2020). GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials. <i>Journal of Applied Crystallography</i>, <i>53</i>, 1108–1129. <a href=\"https://doi.org/10.1107/s1600576720005476\">https://doi.org/10.1107/s1600576720005476</a>","mla":"Savikhin, Victoria, et al. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” <i>Journal of Applied Crystallography</i>, vol. 53, 2020, pp. 1108–29, doi:<a href=\"https://doi.org/10.1107/s1600576720005476\">10.1107/s1600576720005476</a>.","short":"V. Savikhin, H.-G. Steinrück, R.-Z. Liang, B.A. Collins, S.D. Oosterhout, P.M. Beaujuge, M.F. Toney, Journal of Applied Crystallography 53 (2020) 1108–1129.","bibtex":"@article{Savikhin_Steinrück_Liang_Collins_Oosterhout_Beaujuge_Toney_2020, title={GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials}, volume={53}, DOI={<a href=\"https://doi.org/10.1107/s1600576720005476\">10.1107/s1600576720005476</a>}, journal={Journal of Applied Crystallography}, author={Savikhin, Victoria and Steinrück, Hans-Georg and Liang, Ru-Ze and Collins, Brian A. and Oosterhout, Stefan D. and Beaujuge, Pierre M. and Toney, Michael F.}, year={2020}, pages={1108–1129} }","ama":"Savikhin V, Steinrück H-G, Liang R-Z, et al. GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials. <i>Journal of Applied Crystallography</i>. 2020;53:1108-1129. doi:<a href=\"https://doi.org/10.1107/s1600576720005476\">10.1107/s1600576720005476</a>","ieee":"V. Savikhin <i>et al.</i>, “GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials,” <i>Journal of Applied Crystallography</i>, vol. 53, pp. 1108–1129, 2020, doi: <a href=\"https://doi.org/10.1107/s1600576720005476\">10.1107/s1600576720005476</a>.","chicago":"Savikhin, Victoria, Hans-Georg Steinrück, Ru-Ze Liang, Brian A. Collins, Stefan D. Oosterhout, Pierre M. Beaujuge, and Michael F. Toney. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” <i>Journal of Applied Crystallography</i> 53 (2020): 1108–29. <a href=\"https://doi.org/10.1107/s1600576720005476\">https://doi.org/10.1107/s1600576720005476</a>."},"intvolume":"        53","page":"1108-1129","year":"2020"},{"publication_status":"published","publication_identifier":{"issn":["0947-6539","1521-3765"]},"year":"2020","citation":{"ama":"Gebers J, Özen B, Hartmann L, et al. Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene. <i>Chemistry – A European Journal</i>. 2020;26:10265-10275. doi:<a href=\"https://doi.org/10.1002/chem.201904562\">10.1002/chem.201904562</a>","ieee":"J. Gebers <i>et al.</i>, “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene,” <i>Chemistry – A European Journal</i>, vol. 26, pp. 10265–10275, 2020, doi: <a href=\"https://doi.org/10.1002/chem.201904562\">10.1002/chem.201904562</a>.","chicago":"Gebers, Jan, Bilal Özen, Lucia Hartmann, Michel Schaer, Stéphane Suàrez, Philippe Bugnon, Rosario Scopelliti, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” <i>Chemistry – A European Journal</i> 26 (2020): 10265–75. <a href=\"https://doi.org/10.1002/chem.201904562\">https://doi.org/10.1002/chem.201904562</a>.","apa":"Gebers, J., Özen, B., Hartmann, L., Schaer, M., Suàrez, S., Bugnon, P., Scopelliti, R., Steinrück, H.-G., Konovalov, O., Magerl, A., Brinkmann, M., Petraglia, R., Silva, P., Corminboeuf, C., &#38; Frauenrath, H. (2020). Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene. <i>Chemistry – A European Journal</i>, <i>26</i>, 10265–10275. <a href=\"https://doi.org/10.1002/chem.201904562\">https://doi.org/10.1002/chem.201904562</a>","bibtex":"@article{Gebers_Özen_Hartmann_Schaer_Suàrez_Bugnon_Scopelliti_Steinrück_Konovalov_Magerl_et al._2020, title={Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene}, volume={26}, DOI={<a href=\"https://doi.org/10.1002/chem.201904562\">10.1002/chem.201904562</a>}, journal={Chemistry – A European Journal}, author={Gebers, Jan and Özen, Bilal and Hartmann, Lucia and Schaer, Michel and Suàrez, Stéphane and Bugnon, Philippe and Scopelliti, Rosario and Steinrück, Hans-Georg and Konovalov, Oleg and Magerl, Andreas and et al.}, year={2020}, pages={10265–10275} }","mla":"Gebers, Jan, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” <i>Chemistry – A European Journal</i>, vol. 26, 2020, pp. 10265–75, doi:<a href=\"https://doi.org/10.1002/chem.201904562\">10.1002/chem.201904562</a>.","short":"J. Gebers, B. Özen, L. Hartmann, M. Schaer, S. Suàrez, P. Bugnon, R. Scopelliti, H.-G. Steinrück, O. Konovalov, A. Magerl, M. Brinkmann, R. Petraglia, P. Silva, C. Corminboeuf, H. Frauenrath, Chemistry – A European Journal 26 (2020) 10265–10275."},"page":"10265-10275","intvolume":"        26","date_updated":"2022-01-06T06:55:57Z","date_created":"2021-09-01T09:07:50Z","author":[{"first_name":"Jan","last_name":"Gebers","full_name":"Gebers, Jan"},{"first_name":"Bilal","full_name":"Özen, Bilal","last_name":"Özen"},{"first_name":"Lucia","last_name":"Hartmann","full_name":"Hartmann, Lucia"},{"full_name":"Schaer, Michel","last_name":"Schaer","first_name":"Michel"},{"first_name":"Stéphane","full_name":"Suàrez, Stéphane","last_name":"Suàrez"},{"full_name":"Bugnon, Philippe","last_name":"Bugnon","first_name":"Philippe"},{"first_name":"Rosario","last_name":"Scopelliti","full_name":"Scopelliti, Rosario"},{"full_name":"Steinrück, Hans-Georg","id":"84268","orcid":"0000-0001-6373-0877","last_name":"Steinrück","first_name":"Hans-Georg"},{"first_name":"Oleg","full_name":"Konovalov, Oleg","last_name":"Konovalov"},{"full_name":"Magerl, Andreas","last_name":"Magerl","first_name":"Andreas"},{"first_name":"Martin","full_name":"Brinkmann, Martin","last_name":"Brinkmann"},{"first_name":"Riccardo","last_name":"Petraglia","full_name":"Petraglia, Riccardo"},{"last_name":"Silva","full_name":"Silva, Piotr","first_name":"Piotr"},{"first_name":"Clémence","last_name":"Corminboeuf","full_name":"Corminboeuf, Clémence"},{"first_name":"Holger","last_name":"Frauenrath","full_name":"Frauenrath, Holger"}],"volume":26,"title":"Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene","doi":"10.1002/chem.201904562","type":"journal_article","publication":"Chemistry – A European Journal","status":"public","_id":"23600","user_id":"84268","department":[{"_id":"633"}],"language":[{"iso":"eng"}]},{"_id":"23601","user_id":"84268","department":[{"_id":"633"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Advanced Functional Materials","status":"public","date_updated":"2022-01-06T06:55:57Z","date_created":"2021-09-01T09:08:01Z","author":[{"full_name":"Abdelsamie, Maged","last_name":"Abdelsamie","first_name":"Maged"},{"full_name":"Xu, Junwei","last_name":"Xu","first_name":"Junwei"},{"first_name":"Karsten","full_name":"Bruening, Karsten","last_name":"Bruening"},{"first_name":"Christopher J.","last_name":"Tassone","full_name":"Tassone, Christopher J."},{"first_name":"Hans-Georg","last_name":"Steinrück","orcid":"0000-0001-6373-0877","id":"84268","full_name":"Steinrück, Hans-Georg"},{"last_name":"Toney","full_name":"Toney, Michael F.","first_name":"Michael F."}],"volume":30,"title":"Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation","doi":"10.1002/adfm.202001752","publication_status":"published","publication_identifier":{"issn":["1616-301X","1616-3028"]},"year":"2020","citation":{"apa":"Abdelsamie, M., Xu, J., Bruening, K., Tassone, C. J., Steinrück, H.-G., &#38; Toney, M. F. (2020). Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation. <i>Advanced Functional Materials</i>, <i>30</i>, 2001752. <a href=\"https://doi.org/10.1002/adfm.202001752\">https://doi.org/10.1002/adfm.202001752</a>","mla":"Abdelsamie, Maged, et al. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” <i>Advanced Functional Materials</i>, vol. 30, 2020, p. 2001752, doi:<a href=\"https://doi.org/10.1002/adfm.202001752\">10.1002/adfm.202001752</a>.","short":"M. Abdelsamie, J. Xu, K. Bruening, C.J. Tassone, H.-G. Steinrück, M.F. Toney, Advanced Functional Materials 30 (2020) 2001752.","bibtex":"@article{Abdelsamie_Xu_Bruening_Tassone_Steinrück_Toney_2020, title={Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation}, volume={30}, DOI={<a href=\"https://doi.org/10.1002/adfm.202001752\">10.1002/adfm.202001752</a>}, journal={Advanced Functional Materials}, author={Abdelsamie, Maged and Xu, Junwei and Bruening, Karsten and Tassone, Christopher J. and Steinrück, Hans-Georg and Toney, Michael F.}, year={2020}, pages={2001752} }","chicago":"Abdelsamie, Maged, Junwei Xu, Karsten Bruening, Christopher J. Tassone, Hans-Georg Steinrück, and Michael F. Toney. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” <i>Advanced Functional Materials</i> 30 (2020): 2001752. <a href=\"https://doi.org/10.1002/adfm.202001752\">https://doi.org/10.1002/adfm.202001752</a>.","ieee":"M. Abdelsamie, J. Xu, K. Bruening, C. J. Tassone, H.-G. Steinrück, and M. F. Toney, “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation,” <i>Advanced Functional Materials</i>, vol. 30, p. 2001752, 2020, doi: <a href=\"https://doi.org/10.1002/adfm.202001752\">10.1002/adfm.202001752</a>.","ama":"Abdelsamie M, Xu J, Bruening K, Tassone CJ, Steinrück H-G, Toney MF. Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation. <i>Advanced Functional Materials</i>. 2020;30:2001752. doi:<a href=\"https://doi.org/10.1002/adfm.202001752\">10.1002/adfm.202001752</a>"},"intvolume":"        30","page":"2001752"}]