[{"type":"mastersthesis","date_created":"2019-10-10T11:43:25Z","place":"Universität Paderborn","project":[{"name":"SFB 901","_id":"1"},{"_id":"4","name":"SFB 901 - Project Area C"},{"_id":"17","name":"SFB 901 - Subproject C5"}],"citation":{"mla":"Milder, Christoph. <i>Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz</i>. 2019.","ama":"Milder C. <i>Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz</i>.; 2019.","bibtex":"@book{Milder_2019, place={Universität Paderborn}, title={Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz}, author={Milder, Christoph}, year={2019} }","apa":"Milder, C. (2019). <i>Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz</i>.","ieee":"C. Milder, <i>Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz</i>. Universität Paderborn, 2019.","chicago":"Milder, Christoph. <i>Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz</i>. Universität Paderborn, 2019.","short":"C. Milder, Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz, Universität Paderborn, 2019."},"supervisor":[{"id":"21117","last_name":"Kundisch","first_name":"Dennis","full_name":"Kundisch, Dennis"}],"user_id":"16205","language":[{"iso":"ger"}],"_id":"13748","date_updated":"2022-07-14T13:13:31Z","title":"Externe Stimuli zur Geschäftsmodell-Ideengenerierung: Ein Experimenteller Ansatz","year":"2019","status":"public","author":[{"full_name":"Milder, Christoph","last_name":"Milder","first_name":"Christoph"}]},{"user_id":"42165","editor":[{"full_name":"Wymann, Christian","first_name":"Christian","last_name":"Wymann"}],"page":"158 - 163","publisher":"Barbara Budrich","_id":"32157","language":[{"iso":"ger"}],"date_updated":"2022-07-18T09:20:30Z","publication_status":"published","title":"Blätterwald zur Positionierung in akademischen Texten","year":"2019","status":"public","author":[{"id":"53917","last_name":"Karsten","first_name":"Andrea","full_name":"Karsten, Andrea"}],"type":"book_chapter","department":[{"_id":"424"}],"place":"Leverkusen","date_created":"2022-06-24T14:39:21Z","publication":"Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen","citation":{"chicago":"Karsten, Andrea. “Blätterwald zur Positionierung in akademischen Texten.” In <i>Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen</i>, edited by Christian Wymann, 158–63. Leverkusen: Barbara Budrich, 2019.","ama":"Karsten A. Blätterwald zur Positionierung in akademischen Texten. In: Wymann C, ed. <i>Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen</i>. Barbara Budrich; 2019:158-163.","short":"A. Karsten, in: C. Wymann (Ed.), Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen, Barbara Budrich, Leverkusen, 2019, pp. 158–163.","bibtex":"@inbook{Karsten_2019, place={Leverkusen}, title={Blätterwald zur Positionierung in akademischen Texten}, booktitle={Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen}, publisher={Barbara Budrich}, author={Karsten, Andrea}, editor={Wymann, Christian}, year={2019}, pages={158–163} }","mla":"Karsten, Andrea. “Blätterwald zur Positionierung in akademischen Texten.” <i>Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen</i>, edited by Christian Wymann, Barbara Budrich, 2019, pp. 158–63.","apa":"Karsten, A. (2019). Blätterwald zur Positionierung in akademischen Texten. In C. Wymann (Ed.), <i>Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen</i> (pp. 158–163). Barbara Budrich.","ieee":"A. Karsten, “Blätterwald zur Positionierung in akademischen Texten,” in <i>Praxishandbuch Schreibdidaktik. Übungen zur Vermittlung wissenschaftlicher Schreibkompetenzen</i>, C. Wymann, Ed. Leverkusen: Barbara Budrich, 2019, pp. 158–163."}},{"publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"last_name":"Guc","first_name":"Maxim","full_name":"Guc, Maxim"},{"full_name":"Kodalle, Tim","first_name":"Tim","last_name":"Kodalle"},{"full_name":"Kormath Madam Raghupathy, Ramya","first_name":"Ramya","last_name":"Kormath Madam Raghupathy"},{"id":"71051","first_name":"Hossein","last_name":"Mirhosseini","orcid":"https://orcid.org/0000-0001-6179-1545","full_name":"Mirhosseini, Hossein"},{"id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas","last_name":"Kühne"},{"full_name":"Becerril-Romero, Ignacio","last_name":"Becerril-Romero","first_name":"Ignacio"},{"first_name":"Alejandro","last_name":"Pérez-Rodríguez","full_name":"Pérez-Rodríguez, Alejandro"},{"last_name":"Kaufmann","first_name":"Christian A.","full_name":"Kaufmann, Christian A."},{"last_name":"Izquierdo-Roca","first_name":"Victor","full_name":"Izquierdo-Roca, Victor"}],"status":"public","year":"2019","title":"Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations","date_updated":"2022-07-21T09:39:59Z","publication_status":"published","language":[{"iso":"eng"}],"_id":"15723","page":"1285-1291","doi":"10.1021/acs.jpcc.9b08781","user_id":"71051","citation":{"mla":"Guc, Maxim, et al. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations.” <i>The Journal of Physical Chemistry C</i>, 2019, pp. 1285–91, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.9b08781\">10.1021/acs.jpcc.9b08781</a>.","bibtex":"@article{Guc_Kodalle_Kormath Madam Raghupathy_Mirhosseini_Kühne_Becerril-Romero_Pérez-Rodríguez_Kaufmann_Izquierdo-Roca_2019, title={Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.9b08781\">10.1021/acs.jpcc.9b08781</a>}, journal={The Journal of Physical Chemistry C}, author={Guc, Maxim and Kodalle, Tim and Kormath Madam Raghupathy, Ramya and Mirhosseini, Hossein and Kühne, Thomas and Becerril-Romero, Ignacio and Pérez-Rodríguez, Alejandro and Kaufmann, Christian A. and Izquierdo-Roca, Victor}, year={2019}, pages={1285–1291} }","ama":"Guc M, Kodalle T, Kormath Madam Raghupathy R, et al. Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. <i>The Journal of Physical Chemistry C</i>. Published online 2019:1285-1291. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.9b08781\">10.1021/acs.jpcc.9b08781</a>","ieee":"M. Guc <i>et al.</i>, “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations,” <i>The Journal of Physical Chemistry C</i>, pp. 1285–1291, 2019, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.9b08781\">10.1021/acs.jpcc.9b08781</a>.","apa":"Guc, M., Kodalle, T., Kormath Madam Raghupathy, R., Mirhosseini, H., Kühne, T., Becerril-Romero, I., Pérez-Rodríguez, A., Kaufmann, C. A., &#38; Izquierdo-Roca, V. (2019). Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. <i>The Journal of Physical Chemistry C</i>, 1285–1291. <a href=\"https://doi.org/10.1021/acs.jpcc.9b08781\">https://doi.org/10.1021/acs.jpcc.9b08781</a>","chicago":"Guc, Maxim, Tim Kodalle, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini, Thomas Kühne, Ignacio Becerril-Romero, Alejandro Pérez-Rodríguez, Christian A. Kaufmann, and Victor Izquierdo-Roca. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations.” <i>The Journal of Physical Chemistry C</i>, 2019, 1285–91. <a href=\"https://doi.org/10.1021/acs.jpcc.9b08781\">https://doi.org/10.1021/acs.jpcc.9b08781</a>.","short":"M. Guc, T. Kodalle, R. Kormath Madam Raghupathy, H. Mirhosseini, T. Kühne, I. Becerril-Romero, A. Pérez-Rodríguez, C.A. Kaufmann, V. Izquierdo-Roca, The Journal of Physical Chemistry C (2019) 1285–1291."},"publication":"The Journal of Physical Chemistry C","abstract":[{"text":"RbInSe2 is attracting growing interest as a secondary semiconductor compound in Cu(In,Ga)Se2-based solar cells by virtue of the recent investigations on absorber post-deposition treatments with alkali metal salts that have resulted in significant efficiency improvements. However, the detection of the RbInSe2 phase on the surface of chalcopyrite absorbers is very challenging due to its nanometric thickness and the limited information available about its fundamental properties. In this context, this work expounds a detailed analysis of the vibrational properties of RbInSe2 that combines first-principle calculations with multiwavelength Raman scattering spectroscopy and provides a methodology for the detection and identification of very thin layers of this material employing solely optical measurements. As a result, here, we present the classification of the different vibrational modes together with the fingerprint Raman spectra of RbInSe2 thin films measured under five different excitations (close to and far from resonance). The employment of a 442 nm excitation wavelength is found to be the most adequate strategy for the detection and characterization of the RbInSe2 phase in view of its resonance with the band gap of the material and its low penetration depth. Additionally, the purity of the deposited thin films as well as the possible influence of the subjacent layers on the Raman spectra of the compound are also investigated by analyzing the presence of secondary phases and by measuring RbInSe2 thin films deposited onto Mo-coated soda-lime glass, respectively. These results set the basis for the future evaluation of the suitability of Raman spectroscopy as a fast and nondestructive characterization technique for the reliable identification and characterization of the nanometric layers of RbInSe2 in Cu(In,Ga)Se2-based solar cells.","lang":"eng"}],"date_created":"2020-01-30T13:06:31Z","type":"journal_article"},{"language":[{"iso":"eng"}],"doi":"10.1021/acsami.9b02158","title":"Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries","year":"2019","author":[{"first_name":"Manjusha","last_name":" Chugh","full_name":" Chugh, Manjusha"},{"full_name":"Kühne,  Thomas D.","last_name":"Kühne","first_name":" Thomas D."},{"id":"71051","orcid":"https://orcid.org/0000-0001-6179-1545","last_name":"Mirhosseini","first_name":"Hossein","full_name":"Mirhosseini, Hossein"}],"date_updated":"2022-07-21T09:45:19Z","publication_status":"published","intvolume":"        11","article_type":"original","date_created":"2019-09-16T10:18:18Z","type":"journal_article","department":[{"_id":"304"}],"issue":"16","publication":"ACS Applied Materials & Interfaces","abstract":[{"text":"The behavior of alkali atom point defects in polycrystalline CuInSe2 is studied. In this work, three grain boundary models, one coherent twin boundary and two twin boundaries with dislocation cores, are considered. Total energy calculations show that all alkali metals tend to segregate at the grain boundaries. In addition, the segregation of alkali atoms is more pronounced at the grain boundaries with the dislocation cores. The diffusion of alkali metals along and near grain boundaries is studied as well. The results show that the diffusion of alkali atoms in the grain boundary models is faster than within the bulk. In addition, the ion exchange between Na and Rb atoms at the grain boundaries leads to the Rb enrichment at the grain boundaries and the increase of the Na concentration in the bulk. While the effects of Na and Rb point defects on the electronic structure of the grain boundary with the anion-core dislocation are similar, Rb atoms passivate the grain boundary with the cation-core dislocation more effectively than Na. This can explain the further improvement of the solar cell performance after the RbF-postdeposition treatment.","lang":"eng"}],"page":"14821−14829","publisher":"American Chemical Society","_id":"13230","user_id":"71051","volume":11,"status":"public","citation":{"mla":"Chugh, Manjusha, et al. “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries.” <i>ACS Applied Materials &#38; Interfaces</i>, vol. 11, no. 16, American Chemical Society, 2019, p. 14821−14829, doi:<a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>.","ama":"Chugh M, Kühne  Thomas D., Mirhosseini H. Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. <i>ACS Applied Materials &#38; Interfaces</i>. 2019;11(16):14821−14829. doi:<a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>","bibtex":"@article{ Chugh_Kühne_Mirhosseini_2019, title={Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries}, volume={11}, DOI={<a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>}, number={16}, journal={ACS Applied Materials &#38; Interfaces}, publisher={American Chemical Society}, author={ Chugh, Manjusha and Kühne,  Thomas D. and Mirhosseini, Hossein}, year={2019}, pages={14821−14829} }","apa":"Chugh, M., Kühne,  Thomas D., &#38; Mirhosseini, H. (2019). Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. <i>ACS Applied Materials &#38; Interfaces</i>, <i>11</i>(16), 14821−14829. <a href=\"https://doi.org/10.1021/acsami.9b02158\">https://doi.org/10.1021/acsami.9b02158</a>","ieee":"M.  Chugh,  Thomas D. Kühne, and H. Mirhosseini, “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries,” <i>ACS Applied Materials &#38; Interfaces</i>, vol. 11, no. 16, p. 14821−14829, 2019, doi: <a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>.","chicago":"Chugh, Manjusha,  Thomas D. Kühne, and Hossein Mirhosseini. “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries.” <i>ACS Applied Materials &#38; Interfaces</i> 11, no. 16 (2019): 14821−14829. <a href=\"https://doi.org/10.1021/acsami.9b02158\">https://doi.org/10.1021/acsami.9b02158</a>.","short":"M.  Chugh,  Thomas D. Kühne, H. Mirhosseini, ACS Applied Materials &#38; Interfaces 11 (2019) 14821−14829."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}]},{"page":"14821-14829","language":[{"iso":"eng"}],"_id":"15726","user_id":"71051","doi":"10.1021/acsami.9b02158","title":"Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries","year":"2019","status":"public","publication_identifier":{"issn":["1944-8244","1944-8252"]},"author":[{"last_name":"Chugh","first_name":"Manjusha","full_name":"Chugh, Manjusha"},{"id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas","last_name":"Kühne"},{"orcid":"0000-0001-6179-1545","first_name":"S. Hossein","last_name":"Mirhosseini","full_name":"Mirhosseini, S. Hossein","id":"71051"}],"publication_status":"published","date_updated":"2022-07-21T09:41:18Z","article_type":"original","date_created":"2020-01-30T13:07:16Z","type":"journal_article","publication":"ACS Applied Materials & Interfaces","citation":{"mla":"Chugh, Manjusha, et al. “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries.” <i>ACS Applied Materials &#38; Interfaces</i>, 2019, pp. 14821–29, doi:<a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>.","bibtex":"@article{Chugh_Kühne_Mirhosseini_2019, title={Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries}, DOI={<a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>}, journal={ACS Applied Materials &#38; Interfaces}, author={Chugh, Manjusha and Kühne, Thomas and Mirhosseini, S. Hossein}, year={2019}, pages={14821–14829} }","ama":"Chugh M, Kühne T, Mirhosseini SH. Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. <i>ACS Applied Materials &#38; Interfaces</i>. Published online 2019:14821-14829. doi:<a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>","ieee":"M. Chugh, T. Kühne, and S. H. Mirhosseini, “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries,” <i>ACS Applied Materials &#38; Interfaces</i>, pp. 14821–14829, 2019, doi: <a href=\"https://doi.org/10.1021/acsami.9b02158\">10.1021/acsami.9b02158</a>.","apa":"Chugh, M., Kühne, T., &#38; Mirhosseini, S. H. (2019). Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. <i>ACS Applied Materials &#38; Interfaces</i>, 14821–14829. <a href=\"https://doi.org/10.1021/acsami.9b02158\">https://doi.org/10.1021/acsami.9b02158</a>","short":"M. Chugh, T. Kühne, S.H. Mirhosseini, ACS Applied Materials &#38; Interfaces (2019) 14821–14829.","chicago":"Chugh, Manjusha, Thomas Kühne, and S. Hossein Mirhosseini. “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries.” <i>ACS Applied Materials &#38; Interfaces</i>, 2019, 14821–29. <a href=\"https://doi.org/10.1021/acsami.9b02158\">https://doi.org/10.1021/acsami.9b02158</a>."},"abstract":[{"lang":"eng","text":"The behavior of alkali atom point defects in polycrystalline CuInSe2 is studied. In this work, three grain boundary models, one coherent twin boundary and two twin boundaries with dislocation cores, are considered. Total energy calculations show that all alkali metals tend to segregate at the grain boundaries. In addition, the segregation of alkali atoms is more pronounced at the grain boundaries with the dislocation cores. The diffusion of alkali metals along and near grain boundaries is studied as well. The results show that the diffusion of alkali atoms in the grain boundary models is faster than within the bulk. In addition, the ion exchange between Na and Rb atoms at the grain boundaries leads to the Rb enrichment at the grain boundaries and the increase of the Na concentration in the bulk. While the effects of Na and Rb point defects on the electronic structure of the grain boundary with the anion-core dislocation are similar, Rb atoms passivate the grain boundary with the cation-core dislocation more effectively than Na. This can explain the further improvement of the solar cell performance after the RbF-postdeposition treatment."}]},{"publication_identifier":{"issn":["2513-0390","2513-0390"]},"author":[{"first_name":"Ramya","orcid":"https://orcid.org/0000-0003-4667-9744","last_name":"Kormath Madam Raghupathy","full_name":"Kormath Madam Raghupathy, Ramya","id":"71692"},{"id":"49079","first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas"},{"last_name":"Henkelman","first_name":"Graeme","full_name":"Henkelman, Graeme"},{"id":"71051","full_name":"Mirhosseini, Hossein","last_name":"Mirhosseini","first_name":"Hossein","orcid":"0000-0001-6179-1545"}],"year":"2019","status":"public","title":"Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations","publication_status":"published","date_updated":"2022-07-21T09:40:36Z","_id":"15725","language":[{"iso":"eng"}],"article_number":"1900036","user_id":"71051","doi":"10.1002/adts.201900036","citation":{"bibtex":"@article{Kormath Madam Raghupathy_Kühne_Henkelman_Mirhosseini_2019, title={Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations}, DOI={<a href=\"https://doi.org/10.1002/adts.201900036\">10.1002/adts.201900036</a>}, number={1900036}, journal={Advanced Theory and Simulations}, author={Kormath Madam Raghupathy, Ramya and Kühne, Thomas and Henkelman, Graeme and Mirhosseini, Hossein}, year={2019} }","chicago":"Kormath Madam Raghupathy, Ramya, Thomas Kühne, Graeme Henkelman, and Hossein Mirhosseini. “Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations.” <i>Advanced Theory and Simulations</i>, 2019. <a href=\"https://doi.org/10.1002/adts.201900036\">https://doi.org/10.1002/adts.201900036</a>.","short":"R. Kormath Madam Raghupathy, T. Kühne, G. Henkelman, H. Mirhosseini, Advanced Theory and Simulations (2019).","ama":"Kormath Madam Raghupathy R, Kühne T, Henkelman G, Mirhosseini H. Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations. <i>Advanced Theory and Simulations</i>. Published online 2019. doi:<a href=\"https://doi.org/10.1002/adts.201900036\">10.1002/adts.201900036</a>","ieee":"R. Kormath Madam Raghupathy, T. Kühne, G. Henkelman, and H. Mirhosseini, “Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations,” <i>Advanced Theory and Simulations</i>, Art. no. 1900036, 2019, doi: <a href=\"https://doi.org/10.1002/adts.201900036\">10.1002/adts.201900036</a>.","apa":"Kormath Madam Raghupathy, R., Kühne, T., Henkelman, G., &#38; Mirhosseini, H. (2019). Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations. <i>Advanced Theory and Simulations</i>, Article 1900036. <a href=\"https://doi.org/10.1002/adts.201900036\">https://doi.org/10.1002/adts.201900036</a>","mla":"Kormath Madam Raghupathy, Ramya, et al. “Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations.” <i>Advanced Theory and Simulations</i>, 1900036, 2019, doi:<a href=\"https://doi.org/10.1002/adts.201900036\">10.1002/adts.201900036</a>."},"publication":"Advanced Theory and Simulations","abstract":[{"text":"Adaptive kinetic Monte Carlo simulation (aKMC) is employed to study the dynamics and the diffusion of point defects in the CuInSe2 lattice. The aKMC results show that lighter alkali atoms can diffuse into the CuInSe2 grains, whereas the diffusion of heavier alkali atoms is limited to the Cu-poor region of the absorber. The key difference between the diffusion of lighter and heavier alkali elements is the energy barrier of the ion exchange between alkali interstitial atoms and Cu. For lighter alkali atoms like Na, the interstitial diffusion and the ion-exchange mechanism have comparable energy barriers. Therefore, Na interstitial atoms can diffuse into the grains and replace Cu atoms in the CuInSe2 lattice. In contrast to Na, the ion-exchange mechanism occurs spontaneously for heavier alkali atoms like Rb and the further diffusion of these atoms depends on the availability of Cu vacancies. The outdiffusion of alkali substitutional atoms from the grains results in the formation of Cu vacancies which in turn increases the hole concentration in the absorber. In this respect, Na is more efficient than Rb due to the higher concentration of Na substitutional defects in the CuInSe2 grains.","lang":"eng"}],"date_created":"2020-01-30T13:06:56Z","type":"journal_article"},{"department":[{"_id":"67"}],"keyword":["Artificial Intelligence","Machine Learning","Teaching Material","Societal Aspects","Ethics. Social Aspects","Science Year","Simulation Game"],"type":"conference","date_created":"2019-12-16T17:50:08Z","abstract":[{"lang":"eng","text":"Artificial intelligence (AI) has the potential for far-reaching – in our opinion – irreversible changes.\r\nThey range from effects on the individual and society to new societal and social issues. The question arises\r\nas to how students can learn the basic functioning of AI systems, what areas of life and society are affected\r\nby these and – most important – how their own lives are affected by these changes. Therefore, we are developing and evaluating school materials for the German ”Science Year AI”. It can be used for students of all\r\nschool types from the seventh grade upwards and will be distributed to about 2000 schools in autumn with\r\nthe support of the Federal Ministry of Education and Research. The material deals with the following aspects\r\nof AI: Discussing everyday experiences with AI, how does machine learning work, historical development\r\nof AI concepts, difference between man and machine, future distribution of roles between man and machine,\r\nin which AI world do we want to live and how much AI would we like to have in our lives. Through an\r\naccompanying evaluation, high quality of the technical content and didactic preparation is achieved in order\r\nto guarantee the long-term applicability in the teaching context in the different age groups and school types.\r\nIn this paper, we describe the current state of the material development, the challenges arising, and the results\r\nof tests with different classes to date. We also present first ideas for evaluating the results."}],"publication":"ISSEP 2019 - 12th International conference on informatics in schools: Situation, evaluation and perspectives, Local Proceedings","language":[{"iso":"eng"}],"main_file_link":[{"url":"http://cyprusconferences.org/issep2019/wp-content/uploads/2019/10/LocalISSEP-v5.pdf"}],"intvolume":"        12","date_updated":"2022-07-26T11:41:41Z","publication_status":"published","publication_identifier":{"isbn":["978-9925-553-27-3"]},"author":[{"full_name":"Schlichtig, Michael","first_name":"Michael","last_name":"Schlichtig","orcid":"0000-0001-6600-6171","id":"32312"},{"id":"72932","last_name":"Opel","first_name":"Simone Anna","full_name":"Opel, Simone Anna"},{"first_name":"Lea","last_name":"Budde","full_name":"Budde, Lea","id":"32443"},{"last_name":"Schulte","first_name":"Carsten","full_name":"Schulte, Carsten","id":"60311"}],"year":"2019","title":"Understanding Artificial Intelligence – A Project for the Development of Comprehensive Teaching Material","quality_controlled":"1","citation":{"mla":"Schlichtig, Michael, et al. “Understanding Artificial Intelligence – A Project for the Development of Comprehensive Teaching Material.” <i>ISSEP 2019 - 12th International Conference on Informatics in Schools: Situation, Evaluation and Perspectives, Local Proceedings</i>, edited by Eglė Jasutė and Sergei Pozdniakov, vol. 12, 2019, pp. 65–73.","ama":"Schlichtig M, Opel SA, Budde L, Schulte C. 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