[{"status":"public","type":"journal_article","publication":"Physical Review Research","language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"706"},{"_id":"288"},{"_id":"230"},{"_id":"623"},{"_id":"35"}],"_id":"26284","citation":{"ama":"Bagrets D, Kim KW, Barkhofen S, et al. Probing the topological Anderson transition with quantum walks. <i>Physical Review Research</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1103/physrevresearch.3.023183\">10.1103/physrevresearch.3.023183</a>","ieee":"D. Bagrets <i>et al.</i>, “Probing the topological Anderson transition with quantum walks,” <i>Physical Review Research</i>, 2021, doi: <a href=\"https://doi.org/10.1103/physrevresearch.3.023183\">10.1103/physrevresearch.3.023183</a>.","chicago":"Bagrets, Dmitry, Kun Woo Kim, Sonja Barkhofen, Syamsundar De, Jan Sperling, Christine Silberhorn, Alexander Altland, and Tobias Micklitz. “Probing the Topological Anderson Transition with Quantum Walks.” <i>Physical Review Research</i>, 2021. <a href=\"https://doi.org/10.1103/physrevresearch.3.023183\">https://doi.org/10.1103/physrevresearch.3.023183</a>.","apa":"Bagrets, D., Kim, K. W., Barkhofen, S., De, S., Sperling, J., Silberhorn, C., Altland, A., &#38; Micklitz, T. (2021). Probing the topological Anderson transition with quantum walks. <i>Physical Review Research</i>. <a href=\"https://doi.org/10.1103/physrevresearch.3.023183\">https://doi.org/10.1103/physrevresearch.3.023183</a>","mla":"Bagrets, Dmitry, et al. “Probing the Topological Anderson Transition with Quantum Walks.” <i>Physical Review Research</i>, 2021, doi:<a href=\"https://doi.org/10.1103/physrevresearch.3.023183\">10.1103/physrevresearch.3.023183</a>.","short":"D. Bagrets, K.W. Kim, S. Barkhofen, S. De, J. Sperling, C. Silberhorn, A. Altland, T. Micklitz, Physical Review Research (2021).","bibtex":"@article{Bagrets_Kim_Barkhofen_De_Sperling_Silberhorn_Altland_Micklitz_2021, title={Probing the topological Anderson transition with quantum walks}, DOI={<a href=\"https://doi.org/10.1103/physrevresearch.3.023183\">10.1103/physrevresearch.3.023183</a>}, journal={Physical Review Research}, author={Bagrets, Dmitry and Kim, Kun Woo and Barkhofen, Sonja and De, Syamsundar and Sperling, Jan and Silberhorn, Christine and Altland, Alexander and Micklitz, Tobias}, year={2021} }"},"year":"2021","publication_status":"published","publication_identifier":{"issn":["2643-1564"]},"doi":"10.1103/physrevresearch.3.023183","title":"Probing the topological Anderson transition with quantum walks","date_created":"2021-10-15T16:03:53Z","author":[{"first_name":"Dmitry","full_name":"Bagrets, Dmitry","last_name":"Bagrets"},{"full_name":"Kim, Kun Woo","last_name":"Kim","first_name":"Kun Woo"},{"first_name":"Sonja","id":"48188","full_name":"Barkhofen, Sonja","last_name":"Barkhofen"},{"last_name":"De","full_name":"De, Syamsundar","first_name":"Syamsundar"},{"first_name":"Jan","last_name":"Sperling","orcid":"0000-0002-5844-3205","id":"75127","full_name":"Sperling, Jan"},{"last_name":"Silberhorn","full_name":"Silberhorn, Christine","id":"26263","first_name":"Christine"},{"first_name":"Alexander","full_name":"Altland, Alexander","last_name":"Altland"},{"first_name":"Tobias","full_name":"Micklitz, Tobias","last_name":"Micklitz"}],"date_updated":"2023-04-20T15:07:12Z"},{"issue":"36","publication_status":"published","publication_identifier":{"issn":["1932-7447","1932-7455"]},"citation":{"apa":"Slawig, D., Gruschwitz, M., Gerstmann, U., Rauls, E., &#38; Tegenkamp, C. (2021). Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene. <i>The Journal of Physical Chemistry C</i>, <i>125</i>(36), 20087–20093. <a href=\"https://doi.org/10.1021/acs.jpcc.1c06320\">https://doi.org/10.1021/acs.jpcc.1c06320</a>","short":"D. Slawig, M. Gruschwitz, U. Gerstmann, E. Rauls, C. Tegenkamp, The Journal of Physical Chemistry C 125 (2021) 20087–20093.","mla":"Slawig, Diana, et al. “Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene.” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 36, American Chemical Society (ACS), 2021, pp. 20087–93, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c06320\">10.1021/acs.jpcc.1c06320</a>.","bibtex":"@article{Slawig_Gruschwitz_Gerstmann_Rauls_Tegenkamp_2021, title={Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.1c06320\">10.1021/acs.jpcc.1c06320</a>}, number={36}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Slawig, Diana and Gruschwitz, Markus and Gerstmann, Uwe and Rauls, Eva and Tegenkamp, Christoph}, year={2021}, pages={20087–20093} }","chicago":"Slawig, Diana, Markus Gruschwitz, Uwe Gerstmann, Eva Rauls, and Christoph Tegenkamp. “Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene.” <i>The Journal of Physical Chemistry C</i> 125, no. 36 (2021): 20087–93. <a href=\"https://doi.org/10.1021/acs.jpcc.1c06320\">https://doi.org/10.1021/acs.jpcc.1c06320</a>.","ieee":"D. Slawig, M. Gruschwitz, U. Gerstmann, E. Rauls, and C. Tegenkamp, “Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene,” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 36, pp. 20087–20093, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.1c06320\">10.1021/acs.jpcc.1c06320</a>.","ama":"Slawig D, Gruschwitz M, Gerstmann U, Rauls E, Tegenkamp C. Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene. <i>The Journal of Physical Chemistry C</i>. 2021;125(36):20087-20093. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c06320\">10.1021/acs.jpcc.1c06320</a>"},"page":"20087-20093","intvolume":"       125","year":"2021","author":[{"full_name":"Slawig, Diana","last_name":"Slawig","first_name":"Diana"},{"first_name":"Markus","last_name":"Gruschwitz","full_name":"Gruschwitz, Markus"},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"last_name":"Rauls","full_name":"Rauls, Eva","first_name":"Eva"},{"first_name":"Christoph","last_name":"Tegenkamp","full_name":"Tegenkamp, Christoph"}],"date_created":"2022-02-03T15:37:32Z","volume":125,"publisher":"American Chemical Society (ACS)","date_updated":"2023-04-20T16:04:22Z","doi":"10.1021/acs.jpcc.1c06320","title":"Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene","type":"journal_article","publication":"The Journal of Physical Chemistry C","status":"public","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142: TRR 142"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - B4: TRR 142 - Subproject B4","_id":"69"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"29748","language":[{"iso":"eng"}],"keyword":["Surfaces","Coatings and Films","Physical and Theoretical Chemistry","General Energy","Electronic","Optical and Magnetic Materials"]},{"title":"Neighboring Atom Collisions in Solid-State High Harmonic Generation","doi":"10.34133/2021/9861923","date_updated":"2023-04-21T11:11:08Z","publisher":"American Association for the Advancement of Science (AAAS)","date_created":"2023-01-18T11:25:42Z","author":[{"first_name":"Ruixin","last_name":"Zuo","full_name":"Zuo, Ruixin"},{"first_name":"Alexander","last_name":"Trautmann","full_name":"Trautmann, Alexander","id":"38163"},{"full_name":"Wang, Guifang","last_name":"Wang","first_name":"Guifang"},{"full_name":"Hannes, Wolf-Rüdiger","last_name":"Hannes","first_name":"Wolf-Rüdiger"},{"last_name":"Yang","full_name":"Yang, Shidong","first_name":"Shidong"},{"full_name":"Song, Xiaohong","last_name":"Song","first_name":"Xiaohong"},{"last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344","first_name":"Torsten"},{"full_name":"Ciappina, Marcelo","last_name":"Ciappina","first_name":"Marcelo"},{"last_name":"Duc","full_name":"Duc, Huynh Thanh","first_name":"Huynh Thanh"},{"first_name":"Weifeng","full_name":"Yang, Weifeng","last_name":"Yang"}],"volume":2021,"year":"2021","citation":{"short":"R. Zuo, A. Trautmann, G. Wang, W.-R. Hannes, S. Yang, X. Song, T. Meier, M. Ciappina, H.T. Duc, W. Yang, Ultrafast Science 2021 (2021).","bibtex":"@article{Zuo_Trautmann_Wang_Hannes_Yang_Song_Meier_Ciappina_Duc_Yang_2021, title={Neighboring Atom Collisions in Solid-State High Harmonic Generation}, volume={2021}, DOI={<a href=\"https://doi.org/10.34133/2021/9861923\">10.34133/2021/9861923</a>}, journal={Ultrafast Science}, publisher={American Association for the Advancement of Science (AAAS)}, author={Zuo, Ruixin and Trautmann, Alexander and Wang, Guifang and Hannes, Wolf-Rüdiger and Yang, Shidong and Song, Xiaohong and Meier, Torsten and Ciappina, Marcelo and Duc, Huynh Thanh and Yang, Weifeng}, year={2021} }","mla":"Zuo, Ruixin, et al. “Neighboring Atom Collisions in Solid-State High Harmonic Generation.” <i>Ultrafast Science</i>, vol. 2021, American Association for the Advancement of Science (AAAS), 2021, doi:<a href=\"https://doi.org/10.34133/2021/9861923\">10.34133/2021/9861923</a>.","apa":"Zuo, R., Trautmann, A., Wang, G., Hannes, W.-R., Yang, S., Song, X., Meier, T., Ciappina, M., Duc, H. T., &#38; Yang, W. (2021). Neighboring Atom Collisions in Solid-State High Harmonic Generation. <i>Ultrafast Science</i>, <i>2021</i>. <a href=\"https://doi.org/10.34133/2021/9861923\">https://doi.org/10.34133/2021/9861923</a>","ieee":"R. Zuo <i>et al.</i>, “Neighboring Atom Collisions in Solid-State High Harmonic Generation,” <i>Ultrafast Science</i>, vol. 2021, 2021, doi: <a href=\"https://doi.org/10.34133/2021/9861923\">10.34133/2021/9861923</a>.","chicago":"Zuo, Ruixin, Alexander Trautmann, Guifang Wang, Wolf-Rüdiger Hannes, Shidong Yang, Xiaohong Song, Torsten Meier, Marcelo Ciappina, Huynh Thanh Duc, and Weifeng Yang. “Neighboring Atom Collisions in Solid-State High Harmonic Generation.” <i>Ultrafast Science</i> 2021 (2021). <a href=\"https://doi.org/10.34133/2021/9861923\">https://doi.org/10.34133/2021/9861923</a>.","ama":"Zuo R, Trautmann A, Wang G, et al. Neighboring Atom Collisions in Solid-State High Harmonic Generation. <i>Ultrafast Science</i>. 2021;2021. doi:<a href=\"https://doi.org/10.34133/2021/9861923\">10.34133/2021/9861923</a>"},"intvolume":"      2021","publication_status":"published","publication_identifier":{"issn":["2765-8791"]},"language":[{"iso":"eng"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142: TRR 142","_id":"53"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"_id":"64","name":"TRR 142 - A7: TRR 142 - Subproject A7"}],"_id":"37331","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"}],"abstract":[{"text":"<jats:p>High harmonic generation (HHG) from solids shows great application prospects in compact short-wavelength light sources and as a tool for imaging the dynamics in crystals with subnanometer spatial and attosecond temporal resolution. However, the underlying collision dynamics behind solid HHG is still intensively debated and no direct mapping relationship between the collision dynamics with band structure has been built. Here, we show that the electron and its associated hole can be elastically scattered by neighboring atoms when their wavelength approaches the atomic size. We reveal that the elastic scattering of electron/hole from neighboring atoms can dramatically influence the electron recombination with its left-behind hole, which turns out to be the fundamental reason for the anisotropic interband HHG observed recently in bulk crystals. Our findings link the electron/hole backward scattering with Van Hove singularities and forward scattering with critical lines in the band structure and thus build a clear mapping between the band structure and the harmonic spectrum. Our work provides a unifying picture for several seemingly unrelated experimental observations and theoretical predictions, including the anisotropic harmonic emission in MgO, the atomic-like recollision mechanism of solid HHG, and the delocalization of HHG in ZnO. This strongly improved understanding will pave the way for controlling the solid-state HHG and visualizing the structure-dependent electron dynamics in solids.</jats:p>","lang":"eng"}],"status":"public","type":"journal_article","publication":"Ultrafast Science"},{"status":"public","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>Methylammonium lead iodide perovskite (MAPbI<jats:sub>3</jats:sub>) is renowned for an impressive power conversion efficiency rise and cost-effective fabrication for photovoltaics. In this work, we demonstrate that polycrystalline MAPbI<jats:sub>3</jats:sub>s undergo drastic changes in optical properties at moderate field strengths with an ultrafast response time, via transient Wannier Stark localization. The distinct band structure of this material - the large lattice periodicity, the narrow electronic energy bandwidths, and the coincidence of these two along the same high-symmetry direction – enables relatively weak fields to bring this material into the Wannier Stark regime. Its polycrystalline nature is not detrimental to the optical switching performance of the material, since the least dispersive direction of the band structure dominates the contribution to the optical response, which favors low-cost fabrication. Together with the outstanding photophysical properties of MAPbI<jats:sub>3</jats:sub>, this finding highlights the great potential of this material in ultrafast light modulation and novel photonic applications.</jats:p>"}],"type":"journal_article","publication":"Nature Communications","language":[{"iso":"eng"}],"article_number":"5719","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"}],"project":[{"name":"TRR 142: TRR 142","_id":"53"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"_id":"59","name":"TRR 142 - A2: TRR 142 - Subproject A2"}],"_id":"37338","citation":{"apa":"Berghoff, D., Bühler, J., Bonn, M., Leitenstorfer, A., Meier, T., &#38; Kim, H. (2021). Low-field onset of Wannier-Stark localization in a polycrystalline hybrid organic inorganic perovskite. <i>Nature Communications</i>, <i>12</i>(1), Article 5719. <a href=\"https://doi.org/10.1038/s41467-021-26021-4\">https://doi.org/10.1038/s41467-021-26021-4</a>","bibtex":"@article{Berghoff_Bühler_Bonn_Leitenstorfer_Meier_Kim_2021, title={Low-field onset of Wannier-Stark localization in a polycrystalline hybrid organic inorganic perovskite}, volume={12}, DOI={<a href=\"https://doi.org/10.1038/s41467-021-26021-4\">10.1038/s41467-021-26021-4</a>}, number={15719}, journal={Nature Communications}, publisher={Springer Science and Business Media LLC}, author={Berghoff, Daniel and Bühler, Johannes and Bonn, Mischa and Leitenstorfer, Alfred and Meier, Torsten and Kim, Heejae}, year={2021} }","mla":"Berghoff, Daniel, et al. “Low-Field Onset of Wannier-Stark Localization in a Polycrystalline Hybrid Organic Inorganic Perovskite.” <i>Nature Communications</i>, vol. 12, no. 1, 5719, Springer Science and Business Media LLC, 2021, doi:<a href=\"https://doi.org/10.1038/s41467-021-26021-4\">10.1038/s41467-021-26021-4</a>.","short":"D. Berghoff, J. Bühler, M. Bonn, A. Leitenstorfer, T. Meier, H. Kim, Nature Communications 12 (2021).","ama":"Berghoff D, Bühler J, Bonn M, Leitenstorfer A, Meier T, Kim H. Low-field onset of Wannier-Stark localization in a polycrystalline hybrid organic inorganic perovskite. <i>Nature Communications</i>. 2021;12(1). doi:<a href=\"https://doi.org/10.1038/s41467-021-26021-4\">10.1038/s41467-021-26021-4</a>","ieee":"D. Berghoff, J. Bühler, M. Bonn, A. Leitenstorfer, T. Meier, and H. Kim, “Low-field onset of Wannier-Stark localization in a polycrystalline hybrid organic inorganic perovskite,” <i>Nature Communications</i>, vol. 12, no. 1, Art. no. 5719, 2021, doi: <a href=\"https://doi.org/10.1038/s41467-021-26021-4\">10.1038/s41467-021-26021-4</a>.","chicago":"Berghoff, Daniel, Johannes Bühler, Mischa Bonn, Alfred Leitenstorfer, Torsten Meier, and Heejae Kim. “Low-Field Onset of Wannier-Stark Localization in a Polycrystalline Hybrid Organic Inorganic Perovskite.” <i>Nature Communications</i> 12, no. 1 (2021). <a href=\"https://doi.org/10.1038/s41467-021-26021-4\">https://doi.org/10.1038/s41467-021-26021-4</a>."},"intvolume":"        12","year":"2021","issue":"1","publication_status":"published","publication_identifier":{"issn":["2041-1723"]},"doi":"10.1038/s41467-021-26021-4","title":"Low-field onset of Wannier-Stark localization in a polycrystalline hybrid organic inorganic perovskite","date_created":"2023-01-18T11:47:55Z","author":[{"first_name":"Daniel","last_name":"Berghoff","id":"38175","full_name":"Berghoff, Daniel"},{"first_name":"Johannes","last_name":"Bühler","full_name":"Bühler, Johannes"},{"first_name":"Mischa","full_name":"Bonn, Mischa","last_name":"Bonn"},{"first_name":"Alfred","full_name":"Leitenstorfer, Alfred","last_name":"Leitenstorfer"},{"id":"344","full_name":"Meier, Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","first_name":"Torsten"},{"last_name":"Kim","full_name":"Kim, Heejae","first_name":"Heejae"}],"volume":12,"date_updated":"2023-04-21T11:14:19Z","publisher":"Springer Science and Business Media LLC"},{"_id":"23477","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"}],"user_id":"16199","language":[{"iso":"eng"}],"publication":"Physical Review B","type":"journal_article","status":"public","date_updated":"2023-04-21T11:13:50Z","volume":103,"author":[{"full_name":"Thong, Le Huu","last_name":"Thong","first_name":"Le Huu"},{"first_name":"Cong","full_name":"Ngo, Cong","last_name":"Ngo"},{"first_name":"Huynh Thanh","last_name":"Duc","full_name":"Duc, Huynh Thanh"},{"full_name":"Song, Xiaohong","last_name":"Song","first_name":"Xiaohong"},{"first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344"}],"date_created":"2021-08-24T08:50:33Z","title":"Microscopic analysis of high harmonic generation in semiconductors with degenerate bands","doi":"10.1103/physrevb.103.085201","publication_identifier":{"issn":["2469-9950","2469-9969"]},"publication_status":"published","year":"2021","page":"085201","intvolume":"       103","citation":{"short":"L.H. Thong, C. Ngo, H.T. Duc, X. Song, T. Meier, Physical Review B 103 (2021) 085201.","mla":"Thong, Le Huu, et al. “Microscopic Analysis of High Harmonic Generation in Semiconductors with Degenerate Bands.” <i>Physical Review B</i>, vol. 103, 2021, p. 085201, doi:<a href=\"https://doi.org/10.1103/physrevb.103.085201\">10.1103/physrevb.103.085201</a>.","bibtex":"@article{Thong_Ngo_Duc_Song_Meier_2021, title={Microscopic analysis of high harmonic generation in semiconductors with degenerate bands}, volume={103}, DOI={<a href=\"https://doi.org/10.1103/physrevb.103.085201\">10.1103/physrevb.103.085201</a>}, journal={Physical Review B}, author={Thong, Le Huu and Ngo, Cong and Duc, Huynh Thanh and Song, Xiaohong and Meier, Torsten}, year={2021}, pages={085201} }","apa":"Thong, L. H., Ngo, C., Duc, H. T., Song, X., &#38; Meier, T. (2021). Microscopic analysis of high harmonic generation in semiconductors with degenerate bands. <i>Physical Review B</i>, <i>103</i>, 085201. <a href=\"https://doi.org/10.1103/physrevb.103.085201\">https://doi.org/10.1103/physrevb.103.085201</a>","ama":"Thong LH, Ngo C, Duc HT, Song X, Meier T. Microscopic analysis of high harmonic generation in semiconductors with degenerate bands. <i>Physical Review B</i>. 2021;103:085201. doi:<a href=\"https://doi.org/10.1103/physrevb.103.085201\">10.1103/physrevb.103.085201</a>","chicago":"Thong, Le Huu, Cong Ngo, Huynh Thanh Duc, Xiaohong Song, and Torsten Meier. “Microscopic Analysis of High Harmonic Generation in Semiconductors with Degenerate Bands.” <i>Physical Review B</i> 103 (2021): 085201. <a href=\"https://doi.org/10.1103/physrevb.103.085201\">https://doi.org/10.1103/physrevb.103.085201</a>.","ieee":"L. H. Thong, C. Ngo, H. T. Duc, X. Song, and T. Meier, “Microscopic analysis of high harmonic generation in semiconductors with degenerate bands,” <i>Physical Review B</i>, vol. 103, p. 085201, 2021, doi: <a href=\"https://doi.org/10.1103/physrevb.103.085201\">10.1103/physrevb.103.085201</a>."}},{"external_id":{"isi":["000653822700001"]},"language":[{"iso":"eng"}],"ddc":["530"],"publication":"Crystals","file":[{"date_updated":"2021-05-13T16:51:41Z","creator":"schindlm","date_created":"2021-05-13T16:47:11Z","title":"Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response","file_size":3042827,"description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","file_id":"22163","access_level":"open_access","file_name":"crystals-11-00542.pdf","content_type":"application/pdf","relation":"main_file"}],"abstract":[{"text":"Lithium niobate (LiNbO3), a material frequently used in optical applications, hosts different kinds of polarons that significantly affect many of its physical properties. In this study, a variety of electron polarons, namely free, bound, and bipolarons, are analyzed using first-principles calculations. We perform a full structural optimization based on density-functional theory for selected intrinsic defects with special attention to the role of symmetry-breaking distortions that lower the total energy. The cations hosting the various polarons relax to a different degree, with a larger relaxation corresponding to a larger gap between the defect level and the conduction-band edge. The projected density of states reveals that the polaron states are formerly empty Nb 4d states lowered into the band gap. Optical absorption spectra are derived within the independent-particle approximation, corrected by the GW approximation that yields a wider band gap and by including excitonic effects within the Bethe-Salpeter equation. Comparing the calculated spectra with the density of states, we find that the defect peak observed in the optical absorption stems from transitions between the defect level and a continuum of empty Nb 4d states. Signatures of polarons are further analyzed in the reflectivity and other experimentally measurable optical coefficients.","lang":"eng"}],"date_created":"2021-05-03T09:36:13Z","publisher":"MDPI","title":"Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response","quality_controlled":"1","year":"2021","user_id":"171","department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"295"},{"_id":"15"},{"_id":"170"},{"_id":"35"},{"_id":"790"}],"project":[{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"21946","funded_apc":"1","file_date_updated":"2021-05-13T16:51:41Z","article_type":"original","isi":"1","type":"journal_article","status":"public","author":[{"orcid":"0000-0002-5071-5528","last_name":"Schmidt","full_name":"Schmidt, Falko","id":"35251","first_name":"Falko"},{"first_name":"Agnieszka L.","last_name":"Kozub","orcid":"https://orcid.org/0000-0001-6584-0201","full_name":"Kozub, Agnieszka L.","id":"77566"},{"last_name":"Gerstmann","orcid":"0000-0002-4476-223X","id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","id":"458","full_name":"Schindlmayr, Arno"}],"volume":11,"date_updated":"2023-04-21T11:20:15Z","oa":"1","doi":"10.3390/cryst11050542","publication_status":"published","has_accepted_license":"1","publication_identifier":{"eissn":["2073-4352"]},"citation":{"ama":"Schmidt F, Kozub AL, Gerstmann U, Schmidt WG, Schindlmayr A. Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. <i>Crystals</i>. 2021;11:542. doi:<a href=\"https://doi.org/10.3390/cryst11050542\">10.3390/cryst11050542</a>","chicago":"Schmidt, Falko, Agnieszka L. Kozub, Uwe Gerstmann, Wolf Gero Schmidt, and Arno Schindlmayr. “Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.” <i>Crystals</i> 11 (2021): 542. <a href=\"https://doi.org/10.3390/cryst11050542\">https://doi.org/10.3390/cryst11050542</a>.","ieee":"F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response,” <i>Crystals</i>, vol. 11, p. 542, 2021, doi: <a href=\"https://doi.org/10.3390/cryst11050542\">10.3390/cryst11050542</a>.","apa":"Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., &#38; Schindlmayr, A. (2021). 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Schmidt, A. Schindlmayr, Crystals 11 (2021) 542."},"page":"542","intvolume":"        11"},{"abstract":[{"text":"Population/mixing-time-dependent two-dimensional coherent spectra are presented for exciton-polaritons in a microcavity. Theory based on dynamically-controlled truncation reveals coherent and incoherent contributions to the decay dynamics.","lang":"eng"}],"status":"public","type":"conference","publication":"Frontiers in Optics","article_number":"FW5C. 6","language":[{"iso":"eng"}],"_id":"43746","user_id":"16199","department":[{"_id":"293"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"year":"2021","citation":{"ieee":"T. Meier, J. Paul, H. Rose, J. K. Wahlstrand, and A. D. Bristow, “Coherent and incoherent contribution of population dynamics of semiconductor exciton-polaritons,” presented at the Frontiers in Optics 2021, Washington, DC United States, 2021, doi: <a href=\"https://doi.org/10.1364/FIO.2021.FW5C.6\">10.1364/FIO.2021.FW5C.6</a>.","chicago":"Meier, Torsten, Jagannath Paul, Hendrik Rose, Jared K Wahlstrand, and Alan D Bristow. “Coherent and Incoherent Contribution of Population Dynamics of Semiconductor Exciton-Polaritons.” In <i>Frontiers in Optics</i>. Frontiers in Optics, 2021. <a href=\"https://doi.org/10.1364/FIO.2021.FW5C.6\">https://doi.org/10.1364/FIO.2021.FW5C.6</a>.","ama":"Meier T, Paul J, Rose H, Wahlstrand JK, Bristow AD. Coherent and incoherent contribution of population dynamics of semiconductor exciton-polaritons. In: <i>Frontiers in Optics</i>. Frontiers in Optics; 2021. doi:<a href=\"https://doi.org/10.1364/FIO.2021.FW5C.6\">10.1364/FIO.2021.FW5C.6</a>","bibtex":"@inproceedings{Meier_Paul_Rose_Wahlstrand_Bristow_2021, title={Coherent and incoherent contribution of population dynamics of semiconductor exciton-polaritons}, DOI={<a href=\"https://doi.org/10.1364/FIO.2021.FW5C.6\">10.1364/FIO.2021.FW5C.6</a>}, number={FW5C. 6}, booktitle={Frontiers in Optics}, publisher={Frontiers in Optics}, author={Meier, Torsten and Paul, Jagannath and Rose, Hendrik and Wahlstrand, Jared K and Bristow, Alan D}, year={2021} }","mla":"Meier, Torsten, et al. “Coherent and Incoherent Contribution of Population Dynamics of Semiconductor Exciton-Polaritons.” <i>Frontiers in Optics</i>, FW5C. 6, Frontiers in Optics, 2021, doi:<a href=\"https://doi.org/10.1364/FIO.2021.FW5C.6\">10.1364/FIO.2021.FW5C.6</a>.","short":"T. Meier, J. Paul, H. Rose, J.K. Wahlstrand, A.D. Bristow, in: Frontiers in Optics, Frontiers in Optics, 2021.","apa":"Meier, T., Paul, J., Rose, H., Wahlstrand, J. K., &#38; Bristow, A. D. (2021). Coherent and incoherent contribution of population dynamics of semiconductor exciton-polaritons. <i>Frontiers in Optics</i>, Article FW5C. 6. Frontiers in Optics 2021, Washington, DC United States. <a href=\"https://doi.org/10.1364/FIO.2021.FW5C.6\">https://doi.org/10.1364/FIO.2021.FW5C.6</a>"},"publication_status":"published","publication_identifier":{"isbn":["978-1-55752-308-2"]},"title":"Coherent and incoherent contribution of population dynamics of semiconductor exciton-polaritons","main_file_link":[{"url":"https://opg.optica.org/abstract.cfm?uri=FiO-2021-FW5C.6"}],"doi":"10.1364/FIO.2021.FW5C.6","conference":{"name":"Frontiers in Optics 2021","start_date":"2021-11-01","end_date":"2021-11-04","location":"Washington, DC United States"},"publisher":"Frontiers in Optics","date_updated":"2023-04-21T11:18:00Z","author":[{"first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344"},{"first_name":"Jagannath","last_name":"Paul","full_name":"Paul, Jagannath"},{"last_name":"Rose","orcid":"0000-0002-3079-5428","id":"55958","full_name":"Rose, Hendrik","first_name":"Hendrik"},{"last_name":"Wahlstrand","full_name":"Wahlstrand, Jared K","first_name":"Jared K"},{"first_name":"Alan D","full_name":"Bristow, Alan D","last_name":"Bristow"}],"date_created":"2023-04-16T01:39:04Z"},{"language":[{"iso":"eng"}],"article_number":"116840X","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"623"},{"_id":"35"}],"series_title":"SPIE Proceedings","user_id":"16199","_id":"23474","project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area A","_id":"54"},{"_id":"59","name":"TRR 142 - Subproject A2"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","editor":[{"full_name":"Betz, Markus","last_name":"Betz","first_name":"Markus"},{"full_name":"Elezzabi, Abdulhakem Y.","last_name":"Elezzabi","first_name":"Abdulhakem Y."}],"publication":"Ultrafast Phenomena and Nanophotonics XXV","type":"conference","doi":"10.1117/12.2576887","title":"Controlling the emission time of photon echoes by optical freezing of exciton dephasing and rephasing in quantum-dot ensembles","volume":11684,"author":[{"id":"138","full_name":"Reichelt, Matthias","last_name":"Reichelt","first_name":"Matthias"},{"first_name":"Hendrik","id":"55958","full_name":"Rose, Hendrik","last_name":"Rose","orcid":"0000-0002-3079-5428"},{"full_name":"Kosarev, Alexander N.","last_name":"Kosarev","first_name":"Alexander N."},{"full_name":"Poltavtsev, Sergey V.","last_name":"Poltavtsev","first_name":"Sergey V."},{"first_name":"Manfred","last_name":"Bayer","full_name":"Bayer, Manfred"},{"last_name":"Akimov","full_name":"Akimov, Ilya A.","first_name":"Ilya A."},{"first_name":"Christian","last_name":"Schneider","full_name":"Schneider, Christian"},{"first_name":"Martin","full_name":"Kamp, Martin","last_name":"Kamp"},{"last_name":"Höfling","full_name":"Höfling, Sven","first_name":"Sven"},{"first_name":"Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier","full_name":"Meier, Torsten","id":"344"}],"date_created":"2021-08-24T08:46:40Z","date_updated":"2023-04-21T11:20:10Z","intvolume":"     11684","citation":{"apa":"Reichelt, M., Rose, H., Kosarev, A. N., Poltavtsev, S. V., Bayer, M., Akimov, I. A., Schneider, C., Kamp, M., Höfling, S., &#38; Meier, T. (2021). Controlling the emission time of photon echoes by optical freezing of exciton dephasing and rephasing in quantum-dot ensembles. In M. Betz &#38; A. Y. Elezzabi (Eds.), <i>Ultrafast Phenomena and Nanophotonics XXV</i> (No. 116840X; Vol. 11684). <a href=\"https://doi.org/10.1117/12.2576887\">https://doi.org/10.1117/12.2576887</a>","mla":"Reichelt, Matthias, et al. “Controlling the Emission Time of Photon Echoes by Optical Freezing of Exciton Dephasing and Rephasing in Quantum-Dot Ensembles.” <i>Ultrafast Phenomena and Nanophotonics XXV</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, vol. 11684, 116840X, 2021, doi:<a href=\"https://doi.org/10.1117/12.2576887\">10.1117/12.2576887</a>.","short":"M. Reichelt, H. Rose, A.N. Kosarev, S.V. Poltavtsev, M. Bayer, I.A. Akimov, C. Schneider, M. Kamp, S. Höfling, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXV, 2021.","bibtex":"@inproceedings{Reichelt_Rose_Kosarev_Poltavtsev_Bayer_Akimov_Schneider_Kamp_Höfling_Meier_2021, series={SPIE Proceedings}, title={Controlling the emission time of photon echoes by optical freezing of exciton dephasing and rephasing in quantum-dot ensembles}, volume={11684}, DOI={<a href=\"https://doi.org/10.1117/12.2576887\">10.1117/12.2576887</a>}, number={116840X}, booktitle={Ultrafast Phenomena and Nanophotonics XXV}, author={Reichelt, Matthias and Rose, Hendrik and Kosarev, Alexander N. and Poltavtsev, Sergey V. and Bayer, Manfred and Akimov, Ilya A. and Schneider, Christian and Kamp, Martin and Höfling, Sven and Meier, Torsten}, editor={Betz, Markus and Elezzabi, Abdulhakem Y.}, year={2021}, collection={SPIE Proceedings} }","ieee":"M. Reichelt <i>et al.</i>, “Controlling the emission time of photon echoes by optical freezing of exciton dephasing and rephasing in quantum-dot ensembles,” in <i>Ultrafast Phenomena and Nanophotonics XXV</i>, 2021, vol. 11684, doi: <a href=\"https://doi.org/10.1117/12.2576887\">10.1117/12.2576887</a>.","chicago":"Reichelt, Matthias, Hendrik Rose, Alexander N. Kosarev, Sergey V. Poltavtsev, Manfred Bayer, Ilya A. Akimov, Christian Schneider, Martin Kamp, Sven Höfling, and Torsten Meier. “Controlling the Emission Time of Photon Echoes by Optical Freezing of Exciton Dephasing and Rephasing in Quantum-Dot Ensembles.” In <i>Ultrafast Phenomena and Nanophotonics XXV</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, Vol. 11684. SPIE Proceedings, 2021. <a href=\"https://doi.org/10.1117/12.2576887\">https://doi.org/10.1117/12.2576887</a>.","ama":"Reichelt M, Rose H, Kosarev AN, et al. Controlling the emission time of photon echoes by optical freezing of exciton dephasing and rephasing in quantum-dot ensembles. In: Betz M, Elezzabi AY, eds. <i>Ultrafast Phenomena and Nanophotonics XXV</i>. Vol 11684. SPIE Proceedings. ; 2021. doi:<a href=\"https://doi.org/10.1117/12.2576887\">10.1117/12.2576887</a>"},"year":"2021","publication_status":"published"},{"article_number":"013702","language":[{"iso":"eng"}],"_id":"23478","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"623"},{"_id":"35"}],"user_id":"16199","status":"public","publication":"Physical Review A","type":"journal_article","title":"Dark-state and loss-induced phenomena in the quantum-optical regime of Λ-type three-level systems","doi":"10.1103/physreva.103.013702","date_updated":"2023-04-21T11:20:34Z","volume":103,"author":[{"first_name":"Hendrik","last_name":"Rose","orcid":"0000-0002-3079-5428","full_name":"Rose, Hendrik","id":"55958"},{"first_name":"D. V.","full_name":"Popolitova, D. V.","last_name":"Popolitova"},{"last_name":"Tikhonova","full_name":"Tikhonova, O. V.","first_name":"O. V."},{"first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344"},{"first_name":"Polina","full_name":"Sharapova, Polina","id":"60286","last_name":"Sharapova"}],"date_created":"2021-08-24T08:51:19Z","year":"2021","intvolume":"       103","citation":{"ama":"Rose H, Popolitova DV, Tikhonova OV, Meier T, Sharapova P. Dark-state and loss-induced phenomena in the quantum-optical regime of Λ-type three-level systems. <i>Physical Review A</i>. 2021;103. doi:<a href=\"https://doi.org/10.1103/physreva.103.013702\">10.1103/physreva.103.013702</a>","chicago":"Rose, Hendrik, D. V. Popolitova, O. V. Tikhonova, Torsten Meier, and Polina Sharapova. “Dark-State and Loss-Induced Phenomena in the Quantum-Optical Regime of Λ-Type Three-Level Systems.” <i>Physical Review A</i> 103 (2021). <a href=\"https://doi.org/10.1103/physreva.103.013702\">https://doi.org/10.1103/physreva.103.013702</a>.","ieee":"H. Rose, D. V. Popolitova, O. V. Tikhonova, T. Meier, and P. Sharapova, “Dark-state and loss-induced phenomena in the quantum-optical regime of Λ-type three-level systems,” <i>Physical Review A</i>, vol. 103, Art. no. 013702, 2021, doi: <a href=\"https://doi.org/10.1103/physreva.103.013702\">10.1103/physreva.103.013702</a>.","apa":"Rose, H., Popolitova, D. V., Tikhonova, O. V., Meier, T., &#38; Sharapova, P. (2021). Dark-state and loss-induced phenomena in the quantum-optical regime of Λ-type three-level systems. <i>Physical Review A</i>, <i>103</i>, Article 013702. <a href=\"https://doi.org/10.1103/physreva.103.013702\">https://doi.org/10.1103/physreva.103.013702</a>","short":"H. Rose, D.V. Popolitova, O.V. Tikhonova, T. Meier, P. Sharapova, Physical Review A 103 (2021).","bibtex":"@article{Rose_Popolitova_Tikhonova_Meier_Sharapova_2021, title={Dark-state and loss-induced phenomena in the quantum-optical regime of Λ-type three-level systems}, volume={103}, DOI={<a href=\"https://doi.org/10.1103/physreva.103.013702\">10.1103/physreva.103.013702</a>}, number={013702}, journal={Physical Review A}, author={Rose, Hendrik and Popolitova, D. V. and Tikhonova, O. V. and Meier, Torsten and Sharapova, Polina}, year={2021} }","mla":"Rose, Hendrik, et al. “Dark-State and Loss-Induced Phenomena in the Quantum-Optical Regime of Λ-Type Three-Level Systems.” <i>Physical Review A</i>, vol. 103, 013702, 2021, doi:<a href=\"https://doi.org/10.1103/physreva.103.013702\">10.1103/physreva.103.013702</a>."},"publication_identifier":{"issn":["2469-9926","2469-9934"]},"publication_status":"published"},{"year":"2021","intvolume":"        23","citation":{"apa":"Belobo, D. B., &#38; Meier, T. (2021). Approximate nonlinear wave solutions of the coupled two-component Gross–Pitaevskii equations with spin–orbit interaction. <i>New Journal of Physics</i>, <i>23</i>, Article 043045. <a href=\"https://doi.org/10.1088/1367-2630/abf3ed\">https://doi.org/10.1088/1367-2630/abf3ed</a>","mla":"Belobo, Didier Belobo, and Torsten Meier. “Approximate Nonlinear Wave Solutions of the Coupled Two-Component Gross–Pitaevskii Equations with Spin–Orbit Interaction.” <i>New Journal of Physics</i>, vol. 23, 043045, 2021, doi:<a href=\"https://doi.org/10.1088/1367-2630/abf3ed\">10.1088/1367-2630/abf3ed</a>.","bibtex":"@article{Belobo_Meier_2021, title={Approximate nonlinear wave solutions of the coupled two-component Gross–Pitaevskii equations with spin–orbit interaction}, volume={23}, DOI={<a href=\"https://doi.org/10.1088/1367-2630/abf3ed\">10.1088/1367-2630/abf3ed</a>}, number={043045}, journal={New Journal of Physics}, author={Belobo, Didier Belobo and Meier, Torsten}, year={2021} }","short":"D.B. Belobo, T. Meier, New Journal of Physics 23 (2021).","chicago":"Belobo, Didier Belobo, and Torsten Meier. “Approximate Nonlinear Wave Solutions of the Coupled Two-Component Gross–Pitaevskii Equations with Spin–Orbit Interaction.” <i>New Journal of Physics</i> 23 (2021). <a href=\"https://doi.org/10.1088/1367-2630/abf3ed\">https://doi.org/10.1088/1367-2630/abf3ed</a>.","ieee":"D. B. Belobo and T. Meier, “Approximate nonlinear wave solutions of the coupled two-component Gross–Pitaevskii equations with spin–orbit interaction,” <i>New Journal of Physics</i>, vol. 23, Art. no. 043045, 2021, doi: <a href=\"https://doi.org/10.1088/1367-2630/abf3ed\">10.1088/1367-2630/abf3ed</a>.","ama":"Belobo DB, Meier T. 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L201408, doi:<a href=\"https://doi.org/10.1103/physrevb.103.l201408\">10.1103/physrevb.103.l201408</a>.","bibtex":"@article{Nguyen_Sollfrank_Tegenkamp_Rauls_Gerstmann_2021, title={Impact of screening and relaxation on weakly coupled two-dimensional heterostructures}, volume={103}, DOI={<a href=\"https://doi.org/10.1103/physrevb.103.l201408\">10.1103/physrevb.103.l201408</a>}, journal={Physical Review B}, author={Nguyen, T. T. Nhung and Sollfrank, T. and Tegenkamp, C. and Rauls, E. and Gerstmann, Uwe}, year={2021}, pages={L201408} }"},"intvolume":"       103","page":"L201408","date_updated":"2023-04-21T11:24:45Z","date_created":"2021-07-29T07:09:50Z","author":[{"first_name":"T. T. Nhung","last_name":"Nguyen","full_name":"Nguyen, T. T. Nhung"},{"last_name":"Sollfrank","full_name":"Sollfrank, T.","first_name":"T."},{"last_name":"Tegenkamp","full_name":"Tegenkamp, C.","first_name":"C."},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."},{"first_name":"Uwe","id":"171","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann"}],"volume":103,"title":"Impact of screening and relaxation on weakly coupled two-dimensional heterostructures","doi":"10.1103/physrevb.103.l201408","type":"journal_article","publication":"Physical Review B","status":"public","project":[{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"22881","user_id":"171","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"}],"language":[{"iso":"eng"}]},{"publication_status":"published","publication_identifier":{"issn":["2075-4701"]},"quality_controlled":"1","year":"2021","citation":{"short":"T. Borgert, W. Homberg, Metals (2021).","bibtex":"@article{Borgert_Homberg_2021, title={Friction-Induced Recycling Process for User-Specific Semi-Finished Product Production}, DOI={<a href=\"https://doi.org/10.3390/met11040663\">10.3390/met11040663</a>}, number={663}, journal={Metals}, author={Borgert, Thomas and Homberg, Werner}, year={2021} }","mla":"Borgert, Thomas, and Werner Homberg. “Friction-Induced Recycling Process for User-Specific Semi-Finished Product Production.” <i>Metals</i>, 663, 2021, doi:<a href=\"https://doi.org/10.3390/met11040663\">10.3390/met11040663</a>.","apa":"Borgert, T., &#38; Homberg, W. (2021). Friction-Induced Recycling Process for User-Specific Semi-Finished Product Production. <i>Metals</i>, Article 663. <a href=\"https://doi.org/10.3390/met11040663\">https://doi.org/10.3390/met11040663</a>","ama":"Borgert T, Homberg W. Friction-Induced Recycling Process for User-Specific Semi-Finished Product Production. <i>Metals</i>. Published online 2021. doi:<a href=\"https://doi.org/10.3390/met11040663\">10.3390/met11040663</a>","chicago":"Borgert, Thomas, and Werner Homberg. “Friction-Induced Recycling Process for User-Specific Semi-Finished Product Production.” <i>Metals</i>, 2021. <a href=\"https://doi.org/10.3390/met11040663\">https://doi.org/10.3390/met11040663</a>.","ieee":"T. Borgert and W. Homberg, “Friction-Induced Recycling Process for User-Specific Semi-Finished Product Production,” <i>Metals</i>, Art. no. 663, 2021, doi: <a href=\"https://doi.org/10.3390/met11040663\">10.3390/met11040663</a>."},"date_updated":"2023-04-26T13:25:52Z","author":[{"last_name":"Borgert","full_name":"Borgert, Thomas","id":"83141","first_name":"Thomas"},{"full_name":"Homberg, Werner","last_name":"Homberg","first_name":"Werner"}],"date_created":"2021-04-20T05:02:14Z","title":"Friction-Induced Recycling Process for User-Specific Semi-Finished Product Production","doi":"10.3390/met11040663","type":"journal_article","publication":"Metals","abstract":[{"text":"<jats:p>Modern forming processes often allow today the efficient production of complex parts. In order to increase the sustainability of forming processes it would be favorable if the forming of workpieces becomes possible using production waste. At the Chair of Forming and Machining Technology of the Paderborn University (LUF) research is presently conducted with the overall goal to produce workpieces directly from secondary aluminum (e.g., powder and chips). Therefore, friction-based forming processes like friction spinning (or cognate processes) are used due to their high efficiency. As a pre-step, the production of semi-finished parts was the subject of accorded research work at the LUF. Therefore, a friction-based hot extrusion process was used for the full recycling or rework of aluminum chips into profiles. Investigations of the recycled semi-finished products show that they are comparable to conventionally produced semi-finished products in terms of dimensional stability and shape accuracy. An analysis of the mechanical properties of hardness and tensile strength shows that a final product with good and homogeneously distributed properties can be produced. Furthermore, significant correlations to the friction spinning process could be found that are useful for the above-mentioned direct part production from secondary aluminum.</jats:p>","lang":"eng"}],"status":"public","_id":"21635","user_id":"83141","department":[{"_id":"156"}],"article_number":"663","language":[{"iso":"eng"}]},{"user_id":"38212","department":[{"_id":"321"},{"_id":"9"},{"_id":"367"}],"_id":"23746","language":[{"iso":"eng"}],"type":"conference","publication":"SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals","status":"public","author":[{"first_name":"Elmar","id":"20531","full_name":"Moritzer, Elmar","last_name":"Moritzer"},{"orcid":"0000-0002-7651-7028","last_name":"Flachmann","id":"38212","full_name":"Flachmann, Felix","first_name":"Felix"}],"date_created":"2021-09-03T11:23:28Z","date_updated":"2023-04-26T13:39:14Z","conference":{"location":"Online","end_date":"2021-05-14","start_date":"2021-05-10","name":"SPE ANTEC 2021: The Annual  Technical Conference for Plastic  Professionals "},"title":"Influence of Chemical Blowing Agents on the Filling Behavior of Wood-Plastic-Composite Melts","publication_identifier":{"isbn":["978-1-7138-3075-7"]},"quality_controlled":"1","citation":{"apa":"Moritzer, E., &#38; Flachmann, F. (2021). Influence of Chemical Blowing Agents on the Filling Behavior of Wood-Plastic-Composite Melts. <i>SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals</i>, 536–540.","bibtex":"@inproceedings{Moritzer_Flachmann_2021, title={Influence of Chemical Blowing Agents on the Filling Behavior of Wood-Plastic-Composite Melts}, booktitle={SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals}, author={Moritzer, Elmar and Flachmann, Felix}, year={2021}, pages={536–540} }","short":"E. Moritzer, F. Flachmann, in: SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals, 2021, pp. 536–540.","mla":"Moritzer, Elmar, and Felix Flachmann. “Influence of Chemical Blowing Agents on the Filling Behavior of Wood-Plastic-Composite Melts.” <i>SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals</i>, 2021, pp. 536–40.","ama":"Moritzer E, Flachmann F. Influence of Chemical Blowing Agents on the Filling Behavior of Wood-Plastic-Composite Melts. In: <i>SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals</i>. ; 2021:536-540.","chicago":"Moritzer, Elmar, and Felix Flachmann. “Influence of Chemical Blowing Agents on the Filling Behavior of Wood-Plastic-Composite Melts.” In <i>SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals</i>, 536–40, 2021.","ieee":"E. Moritzer and F. Flachmann, “Influence of Chemical Blowing Agents on the Filling Behavior of Wood-Plastic-Composite Melts,” in <i>SPE ANTEC 2021: The Annual Technical Conference for Plastic Professionals</i>, Online, 2021, pp. 536–540."},"page":"536-540","year":"2021"},{"author":[{"first_name":"Lukas","id":"65478","full_name":"Bolenz, Lukas","last_name":"Bolenz"},{"first_name":"Thomas","id":"47151","full_name":"Ehlert, Thomas","last_name":"Ehlert"},{"first_name":"Christopher","last_name":"Dechert","full_name":"Dechert, Christopher","id":"69828"},{"last_name":"Bertling","id":"30050","full_name":"Bertling, René","first_name":"René"},{"last_name":"Kenig","id":"665","full_name":"Kenig, Eugeny","first_name":"Eugeny"}],"date_created":"2021-09-06T10:30:44Z","date_updated":"2023-04-27T06:28:16Z","doi":"10.1016/j.cherd.2021.05.025","title":"Modelling of a continuous distillation process with finite reflux ratio using the hydrodynamic analogy approach","quality_controlled":"1","publication_identifier":{"issn":["0263-8762"]},"publication_status":"published","page":"99-108","citation":{"mla":"Bolenz, Lukas, et al. “Modelling of a Continuous Distillation Process with Finite Reflux Ratio Using the Hydrodynamic Analogy Approach.” <i>Chemical Engineering Research and Design</i>, 2021, pp. 99–108, doi:<a href=\"https://doi.org/10.1016/j.cherd.2021.05.025\">10.1016/j.cherd.2021.05.025</a>.","bibtex":"@article{Bolenz_Ehlert_Dechert_Bertling_Kenig_2021, title={Modelling of a continuous distillation process with finite reflux ratio using the hydrodynamic analogy approach}, DOI={<a href=\"https://doi.org/10.1016/j.cherd.2021.05.025\">10.1016/j.cherd.2021.05.025</a>}, journal={Chemical Engineering Research and Design}, author={Bolenz, Lukas and Ehlert, Thomas and Dechert, Christopher and Bertling, René and Kenig, Eugeny}, year={2021}, pages={99–108} }","short":"L. Bolenz, T. Ehlert, C. Dechert, R. Bertling, E. Kenig, Chemical Engineering Research and Design (2021) 99–108.","apa":"Bolenz, L., Ehlert, T., Dechert, C., Bertling, R., &#38; Kenig, E. (2021). Modelling of a continuous distillation process with finite reflux ratio using the hydrodynamic analogy approach. <i>Chemical Engineering Research and Design</i>, 99–108. <a href=\"https://doi.org/10.1016/j.cherd.2021.05.025\">https://doi.org/10.1016/j.cherd.2021.05.025</a>","ieee":"L. Bolenz, T. Ehlert, C. Dechert, R. Bertling, and E. Kenig, “Modelling of a continuous distillation process with finite reflux ratio using the hydrodynamic analogy approach,” <i>Chemical Engineering Research and Design</i>, pp. 99–108, 2021, doi: <a href=\"https://doi.org/10.1016/j.cherd.2021.05.025\">10.1016/j.cherd.2021.05.025</a>.","chicago":"Bolenz, Lukas, Thomas Ehlert, Christopher Dechert, René Bertling, and Eugeny Kenig. “Modelling of a Continuous Distillation Process with Finite Reflux Ratio Using the Hydrodynamic Analogy Approach.” <i>Chemical Engineering Research and Design</i>, 2021, 99–108. <a href=\"https://doi.org/10.1016/j.cherd.2021.05.025\">https://doi.org/10.1016/j.cherd.2021.05.025</a>.","ama":"Bolenz L, Ehlert T, Dechert C, Bertling R, Kenig E. Modelling of a continuous distillation process with finite reflux ratio using the hydrodynamic analogy approach. <i>Chemical Engineering Research and Design</i>. Published online 2021:99-108. doi:<a href=\"https://doi.org/10.1016/j.cherd.2021.05.025\">10.1016/j.cherd.2021.05.025</a>"},"year":"2021","department":[{"_id":"145"},{"_id":"9"}],"user_id":"69828","_id":"23789","language":[{"iso":"eng"}],"publication":"Chemical Engineering Research and Design","type":"journal_article","status":"public"},{"doi":"10.25518/esaform21.4277","title":"Influence of rivet length on joint formation on self-piercing riveting process considering further process parameters","date_created":"2022-12-05T21:45:13Z","author":[{"full_name":"Kappe, Fabian","id":"66459","last_name":"Kappe","first_name":"Fabian"},{"first_name":"Christian Roman","full_name":"Bielak, Christian Roman","id":"34782","last_name":"Bielak"},{"first_name":"Vadim","full_name":"Sartisson, Vadim","last_name":"Sartisson"},{"id":"7850","full_name":"Bobbert, Mathias","last_name":"Bobbert","first_name":"Mathias"},{"first_name":"Gerson","last_name":"Meschut","orcid":"0000-0002-2763-1246","id":"32056","full_name":"Meschut, Gerson"}],"publisher":"University of Liege","date_updated":"2023-04-27T08:52:48Z","citation":{"bibtex":"@inproceedings{Kappe_Bielak_Sartisson_Bobbert_Meschut_2021, title={Influence of rivet length on joint formation on self-piercing riveting process considering further process parameters}, DOI={<a href=\"https://doi.org/10.25518/esaform21.4277\">10.25518/esaform21.4277</a>}, booktitle={ESAFORM 2021}, publisher={University of Liege}, author={Kappe, Fabian and Bielak, Christian Roman and Sartisson, Vadim and Bobbert, Mathias and Meschut, Gerson}, year={2021} }","mla":"Kappe, Fabian, et al. “Influence of rivet length on joint formation on self-piercing riveting process considering further process parameters.” <i>ESAFORM 2021</i>, University of Liege, 2021, doi:<a href=\"https://doi.org/10.25518/esaform21.4277\">10.25518/esaform21.4277</a>.","short":"F. Kappe, C.R. Bielak, V. Sartisson, M. Bobbert, G. Meschut, in: ESAFORM 2021, University of Liege, 2021.","apa":"Kappe, F., Bielak, C. R., Sartisson, V., Bobbert, M., &#38; Meschut, G. (2021). Influence of rivet length on joint formation on self-piercing riveting process considering further process parameters. <i>ESAFORM 2021</i>. <a href=\"https://doi.org/10.25518/esaform21.4277\">https://doi.org/10.25518/esaform21.4277</a>","ama":"Kappe F, Bielak CR, Sartisson V, Bobbert M, Meschut G. Influence of rivet length on joint formation on self-piercing riveting process considering further process parameters. In: <i>ESAFORM 2021</i>. University of Liege; 2021. doi:<a href=\"https://doi.org/10.25518/esaform21.4277\">10.25518/esaform21.4277</a>","chicago":"Kappe, Fabian, Christian Roman Bielak, Vadim Sartisson, Mathias Bobbert, and Gerson Meschut. “Influence of rivet length on joint formation on self-piercing riveting process considering further process parameters.” In <i>ESAFORM 2021</i>. University of Liege, 2021. <a href=\"https://doi.org/10.25518/esaform21.4277\">https://doi.org/10.25518/esaform21.4277</a>.","ieee":"F. Kappe, C. R. Bielak, V. Sartisson, M. Bobbert, and G. Meschut, “Influence of rivet length on joint formation on self-piercing riveting process considering further process parameters,” 2021, doi: <a href=\"https://doi.org/10.25518/esaform21.4277\">10.25518/esaform21.4277</a>."},"year":"2021","quality_controlled":"1","publication_status":"published","language":[{"iso":"fre"}],"department":[{"_id":"630"},{"_id":"157"}],"user_id":"66459","_id":"34222","project":[{"_id":"130","name":"TRR 285: TRR 285","grant_number":"418701707"},{"name":"TRR 285 - A: TRR 285 - Project Area A","_id":"131"},{"name":"TRR 285 – A01: TRR 285 - Subproject A01","_id":"135"},{"name":"TRR 285 - C: TRR 285 - Project Area C","_id":"133"},{"name":"TRR 285 – C02: TRR 285 - Subproject C02","_id":"146"}],"status":"public","abstract":[{"text":"Driven by the CO2-emission law by the European government and the increasing costs for raw materials as well as energy, the automotive industry is increasingly using multi-material constructions. This leads to a continuous increase in the use of mechanical joining techniques and especially the self-piercing riveting is of particular importance. The reason for this is the wide range of joining possibilities as well as the high load-bearing capacities of the joints. To be able to react to changing boundary conditions, like material thickness or strength variation of the sheets, research work is crucial with regard to the increase of versatility. In this paper, a numerical study of the influences on the selfpiercing riveting process is presented. For this purpose, the influence of different process parameters such as rivet length and die depth on various quality-relevant characteristics were investigated. With the help of the design of experiment, significant influences were determined and interactions between the individual parameters are shown.","lang":"eng"}],"publication":"ESAFORM 2021","type":"conference"},{"status":"public","abstract":[{"lang":"eng","text":"<jats:p>In many areas of product manufacturing constructions consist of individual components and metal sheets that are joined together to form complex structures. A simple and industrial common method for joining dissimilar and coated materials is clinching. During the joining process and due to the service load cracks can occur in the area of the joint, propagate due to cyclic loading and consequently lead to structural failure. For the prevention of these damage cases, first of all knowledge about the fracture mechanical material parameters regarding the original material state of the sheet metals used within the clinching process are essential.Within the scope of this paper experimental and numerical preliminary investigations regarding the fracture mechanical behavior of sheet metals used within the clinching process are presented. Due to the low thickness of 1.5 mm of the material sheets, the development of a new specimen is necessary to determine the crack growth rate curve including the fracture mechanical parameters like the threshold against crack growth ΔK<jats:sub>I,th</jats:sub> and the fracture toughness K<jats:sub>IC</jats:sub> of the base material HCT590X. For the experimental determination of the crack growth rate curve the numerical calculation of the geometry factor function as well as the calibration function of this special specimen are essential. After the experimental validation of the numerically determined calibration function, crack growth rate curves are determined for the stress ratios <jats:italic>R</jats:italic> = 0.1 and <jats:italic>R</jats:italic> = 0.3 to examine the mean stress sensitivity. In addition, the different rolling directions of 0° and 90° in relation to the initial crack are taken into account in order to investigate the influence of the anisotropy due to rolling.</jats:p>"}],"type":"conference","publication":"Key Engineering Materials","language":[{"iso":"eng"}],"keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"user_id":"45673","department":[{"_id":"143"}],"_id":"30675","citation":{"apa":"Weiß, D., Schramm, B., &#38; Kullmer, G. (2021). Numerical and Experimental Fracture Mechanical Investigations of Clinchable Sheet Metals Made of HCT590X. <i>Key Engineering Materials</i>, <i>883</i>, 127–132. <a href=\"https://doi.org/10.4028/www.scientific.net/kem.883.127\">https://doi.org/10.4028/www.scientific.net/kem.883.127</a>","mla":"Weiß, Deborah, et al. “Numerical and Experimental Fracture Mechanical Investigations of Clinchable Sheet Metals Made of HCT590X.” <i>Key Engineering Materials</i>, vol. 883, Trans Tech Publications, Ltd., 2021, pp. 127–32, doi:<a href=\"https://doi.org/10.4028/www.scientific.net/kem.883.127\">10.4028/www.scientific.net/kem.883.127</a>.","short":"D. Weiß, B. Schramm, G. Kullmer, in: Key Engineering Materials, Trans Tech Publications, Ltd., 2021, pp. 127–132.","bibtex":"@inproceedings{Weiß_Schramm_Kullmer_2021, title={Numerical and Experimental Fracture Mechanical Investigations of Clinchable Sheet Metals Made of HCT590X}, volume={883}, DOI={<a href=\"https://doi.org/10.4028/www.scientific.net/kem.883.127\">10.4028/www.scientific.net/kem.883.127</a>}, booktitle={Key Engineering Materials}, publisher={Trans Tech Publications, Ltd.}, author={Weiß, Deborah and Schramm, Britta and Kullmer, Gunter}, year={2021}, pages={127–132} }","chicago":"Weiß, Deborah, Britta Schramm, and Gunter Kullmer. “Numerical and Experimental Fracture Mechanical Investigations of Clinchable Sheet Metals Made of HCT590X.” In <i>Key Engineering Materials</i>, 883:127–32. Trans Tech Publications, Ltd., 2021. <a href=\"https://doi.org/10.4028/www.scientific.net/kem.883.127\">https://doi.org/10.4028/www.scientific.net/kem.883.127</a>.","ieee":"D. Weiß, B. Schramm, and G. Kullmer, “Numerical and Experimental Fracture Mechanical Investigations of Clinchable Sheet Metals Made of HCT590X,” in <i>Key Engineering Materials</i>, online, 2021, vol. 883, pp. 127–132, doi: <a href=\"https://doi.org/10.4028/www.scientific.net/kem.883.127\">10.4028/www.scientific.net/kem.883.127</a>.","ama":"Weiß D, Schramm B, Kullmer G. Numerical and Experimental Fracture Mechanical Investigations of Clinchable Sheet Metals Made of HCT590X. In: <i>Key Engineering Materials</i>. Vol 883. Trans Tech Publications, Ltd.; 2021:127-132. doi:<a href=\"https://doi.org/10.4028/www.scientific.net/kem.883.127\">10.4028/www.scientific.net/kem.883.127</a>"},"intvolume":"       883","page":"127-132","year":"2021","publication_status":"published","publication_identifier":{"issn":["1662-9795"]},"quality_controlled":"1","doi":"10.4028/www.scientific.net/kem.883.127","conference":{"start_date":"2021-03-29","name":"19th International Conference on Sheet Metal","location":"online","end_date":"2021-03-31"},"title":"Numerical and Experimental Fracture Mechanical Investigations of Clinchable Sheet Metals Made of HCT590X","date_created":"2022-03-29T08:09:01Z","author":[{"first_name":"Deborah","last_name":"Weiß","id":"45673","full_name":"Weiß, Deborah"},{"id":"4668","full_name":"Schramm, Britta","last_name":"Schramm","first_name":"Britta"},{"first_name":"Gunter","last_name":"Kullmer","full_name":"Kullmer, Gunter","id":"291"}],"volume":883,"publisher":"Trans Tech Publications, Ltd.","date_updated":"2023-04-27T10:13:19Z"},{"keyword":["Industrial and Manufacturing Engineering","Mechanical Engineering"],"language":[{"iso":"eng"}],"_id":"30674","user_id":"45673","department":[{"_id":"143"}],"abstract":[{"text":"<jats:title>Abstract</jats:title><jats:p>In addition to the classical strength calculation, it is important to design components with regard to fracture mechanics because defects and cracks in a component can drastically influence its strength or fatigue behavior. Cracks can propagate due to operational loads and consequently lead to component failure. The fracture mechanical analysis provides information on stable or unstable crack growth as well as about the direction and the growth rate of a crack. For this purpose, sufficient information has to be available about the crack location, the crack length, the component geometry, the component loading and the fracture mechanical material parameters. The fracture mechanical properties are determined experimentally with standardized specimens as defined by the guidelines of the American Society for Testing and Materials. In practice, however, especially in the context with damage cases or formed material fracture mechanical parameters directly for a component are of interest. However, standard specimens often cannot be extracted at all due to the complexity of the component geometry. Therefore, the development of special specimens is required whereby certain arrangements have to be made in advance. These arrangements are presented in the present paper in order to contribute to a holistic investigation chain for the experimental determination of fracture mechanical material parameters with special specimens.</jats:p>","lang":"eng"}],"status":"public","type":"journal_article","publication":"Production Engineering","title":"Holistic investigation chain for the experimental determination of fracture mechanical material parameters with special specimens","doi":"10.1007/s11740-021-01096-6","publisher":"Springer Science and Business Media LLC","date_updated":"2023-04-27T10:14:53Z","author":[{"id":"45673","full_name":"Weiß, Deborah","last_name":"Weiß","first_name":"Deborah"},{"first_name":"Britta","full_name":"Schramm, Britta","id":"4668","last_name":"Schramm"},{"last_name":"Kullmer","full_name":"Kullmer, Gunter","id":"291","first_name":"Gunter"}],"date_created":"2022-03-29T08:05:02Z","year":"2021","citation":{"ama":"Weiß D, Schramm B, Kullmer G. Holistic investigation chain for the experimental determination of fracture mechanical material parameters with special specimens. <i>Production Engineering</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1007/s11740-021-01096-6\">10.1007/s11740-021-01096-6</a>","chicago":"Weiß, Deborah, Britta Schramm, and Gunter Kullmer. “Holistic Investigation Chain for the Experimental Determination of Fracture Mechanical Material Parameters with Special Specimens.” <i>Production Engineering</i>, 2021. <a href=\"https://doi.org/10.1007/s11740-021-01096-6\">https://doi.org/10.1007/s11740-021-01096-6</a>.","ieee":"D. Weiß, B. Schramm, and G. Kullmer, “Holistic investigation chain for the experimental determination of fracture mechanical material parameters with special specimens,” <i>Production Engineering</i>, 2021, doi: <a href=\"https://doi.org/10.1007/s11740-021-01096-6\">10.1007/s11740-021-01096-6</a>.","apa":"Weiß, D., Schramm, B., &#38; Kullmer, G. (2021). Holistic investigation chain for the experimental determination of fracture mechanical material parameters with special specimens. <i>Production Engineering</i>. <a href=\"https://doi.org/10.1007/s11740-021-01096-6\">https://doi.org/10.1007/s11740-021-01096-6</a>","mla":"Weiß, Deborah, et al. “Holistic Investigation Chain for the Experimental Determination of Fracture Mechanical Material Parameters with Special Specimens.” <i>Production Engineering</i>, Springer Science and Business Media LLC, 2021, doi:<a href=\"https://doi.org/10.1007/s11740-021-01096-6\">10.1007/s11740-021-01096-6</a>.","bibtex":"@article{Weiß_Schramm_Kullmer_2021, title={Holistic investigation chain for the experimental determination of fracture mechanical material parameters with special specimens}, DOI={<a href=\"https://doi.org/10.1007/s11740-021-01096-6\">10.1007/s11740-021-01096-6</a>}, journal={Production Engineering}, publisher={Springer Science and Business Media LLC}, author={Weiß, Deborah and Schramm, Britta and Kullmer, Gunter}, year={2021} }","short":"D. Weiß, B. Schramm, G. Kullmer, Production Engineering (2021)."},"publication_status":"published","publication_identifier":{"issn":["0944-6524","1863-7353"]},"quality_controlled":"1"},{"doi":"10.1016/j.micromeso.2020.110330","title":"Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns","author":[{"last_name":"Schwind","full_name":"Schwind, Bertram","first_name":"Bertram"},{"first_name":"Jan-Henrik","last_name":"Smått","full_name":"Smått, Jan-Henrik"},{"first_name":"Michael","last_name":"Tiemann","orcid":"0000-0003-1711-2722","full_name":"Tiemann, Michael","id":"23547"},{"first_name":"Christian","last_name":"Weinberger","full_name":"Weinberger, Christian","id":"11848"}],"date_created":"2021-10-08T10:02:31Z","date_updated":"2023-03-07T10:44:44Z","citation":{"mla":"Schwind, Bertram, et al. “Modeling of Gyroidal Mesoporous CMK-8 and CMK-9 Carbon Nanostructures and Their X-Ray Diffraction Patterns.” <i>Microporous and Mesoporous Materials</i>, 110330, 2021, doi:<a href=\"https://doi.org/10.1016/j.micromeso.2020.110330\">10.1016/j.micromeso.2020.110330</a>.","bibtex":"@article{Schwind_Smått_Tiemann_Weinberger_2021, title={Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns}, DOI={<a href=\"https://doi.org/10.1016/j.micromeso.2020.110330\">10.1016/j.micromeso.2020.110330</a>}, number={110330}, journal={Microporous and Mesoporous Materials}, author={Schwind, Bertram and Smått, Jan-Henrik and Tiemann, Michael and Weinberger, Christian}, year={2021} }","short":"B. Schwind, J.-H. Smått, M. Tiemann, C. Weinberger, Microporous and Mesoporous Materials (2021).","apa":"Schwind, B., Smått, J.-H., Tiemann, M., &#38; Weinberger, C. (2021). Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns. <i>Microporous and Mesoporous Materials</i>, Article 110330. <a href=\"https://doi.org/10.1016/j.micromeso.2020.110330\">https://doi.org/10.1016/j.micromeso.2020.110330</a>","ama":"Schwind B, Smått J-H, Tiemann M, Weinberger C. Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns. <i>Microporous and Mesoporous Materials</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1016/j.micromeso.2020.110330\">10.1016/j.micromeso.2020.110330</a>","chicago":"Schwind, Bertram, Jan-Henrik Smått, Michael Tiemann, and Christian Weinberger. “Modeling of Gyroidal Mesoporous CMK-8 and CMK-9 Carbon Nanostructures and Their X-Ray Diffraction Patterns.” <i>Microporous and Mesoporous Materials</i>, 2021. <a href=\"https://doi.org/10.1016/j.micromeso.2020.110330\">https://doi.org/10.1016/j.micromeso.2020.110330</a>.","ieee":"B. Schwind, J.-H. Smått, M. Tiemann, and C. Weinberger, “Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns,” <i>Microporous and Mesoporous Materials</i>, Art. no. 110330, 2021, doi: <a href=\"https://doi.org/10.1016/j.micromeso.2020.110330\">10.1016/j.micromeso.2020.110330</a>."},"year":"2021","publication_identifier":{"issn":["1387-1811"]},"quality_controlled":"1","publication_status":"published","language":[{"iso":"eng"}],"article_number":"110330","article_type":"original","department":[{"_id":"35"},{"_id":"2"},{"_id":"307"}],"user_id":"23547","_id":"25894","status":"public","abstract":[{"text":"Powder X-ray diffraction (XRD) patterns of ordered mesoporous CMK-8 and CMK-9 carbon materials are simulated by geometric modeling. The materials are amorphous at the atomic length scale but exhibit highly symmetric gyroidal structures at the nanometer scale, corresponding to regular, continuous nanopore systems with cubic symmetry. Their structures lead to characteristic low-angle XRD signatures. We introduce a model based on geometrical considerations to simulate CMK-8 and CMK-9 structures with variable volume fraction of carbon (vs. pore volume, i.e., variable 'pore wall thickness'). In addition, we also simulate carbon materials with variable amounts of guest species (e.g., sulfur) residing in their pores. The corresponding XRD patterns are calculated. The carbon volume fraction turns out to have a significant impact on the relative diffraction peak intensities, especially in case of CMK-9 carbon that features a bimodal porosity. Likewise, the presence of guest species in the pores may also strongly affect the relative peak intensities. Our study suggests that careful evaluation of experimental low-angle XRD patterns of (real) CMK-8 or CMK-9 materials offers an opportunity to obtain detailed information about the nanostructural properties in addition to the mere identification of the pore systems geometry.","lang":"eng"}],"publication":"Microporous and Mesoporous Materials","type":"journal_article"},{"status":"public","abstract":[{"lang":"eng","text":"A comparison of infrared spectroscopic analytical approaches was made in order to assess their applicability for internal structure characterization of SiO2 thin films. Markers for porosity and/or disorder based on the analysis of the asymmetric stretching absorption band of SiO2 between 900−1350 cm−1 were discussed. The shape of this band, which shows a well-defined LO–TO splitting, depends not only on the inherent characteristics of the film under analysis but also on the particular geometry of the IR experiment and the specific surface selection rules of the substrate. Three types of SiO2 thin films with clearly defined porosity ranging from dense films to mesoporous films were investigated by transmission (at different incidence angles), direct specular reflection (at different angles), and diffuse reflection. Two different types of substrate, metallic and semiconducting, were used. The combined effect of substrate and specific technique in the final shape of the band, was discussed, and the efficacy for their applicability to the determination of porosity in thin SiO2 films was critically evaluated."}],"publication":"Vibrational Spectroscopy","type":"journal_article","language":[{"iso":"eng"}],"article_type":"original","article_number":"103256","department":[{"_id":"35"},{"_id":"2"},{"_id":"307"},{"_id":"302"}],"user_id":"23547","_id":"25897","citation":{"ama":"de los Arcos T, Müller H, Wang F, et al. Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films. <i>Vibrational Spectroscopy</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1016/j.vibspec.2021.103256\">10.1016/j.vibspec.2021.103256</a>","ieee":"T. de los Arcos <i>et al.</i>, “Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films,” <i>Vibrational Spectroscopy</i>, Art. no. 103256, 2021, doi: <a href=\"https://doi.org/10.1016/j.vibspec.2021.103256\">10.1016/j.vibspec.2021.103256</a>.","chicago":"Arcos, Teresa de los, Hendrik Müller, Fuzeng Wang, Varun Raj Damerla, Christian Hoppe, Christian Weinberger, Michael Tiemann, and Guido Grundmeier. “Review of Infrared Spectroscopy Techniques for the Determination of Internal Structure in Thin SiO2 Films.” <i>Vibrational Spectroscopy</i>, 2021. <a href=\"https://doi.org/10.1016/j.vibspec.2021.103256\">https://doi.org/10.1016/j.vibspec.2021.103256</a>.","apa":"de los Arcos, T., Müller, H., Wang, F., Damerla, V. R., Hoppe, C., Weinberger, C., Tiemann, M., &#38; Grundmeier, G. (2021). Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films. <i>Vibrational Spectroscopy</i>, Article 103256. <a href=\"https://doi.org/10.1016/j.vibspec.2021.103256\">https://doi.org/10.1016/j.vibspec.2021.103256</a>","bibtex":"@article{de los Arcos_Müller_Wang_Damerla_Hoppe_Weinberger_Tiemann_Grundmeier_2021, title={Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films}, DOI={<a href=\"https://doi.org/10.1016/j.vibspec.2021.103256\">10.1016/j.vibspec.2021.103256</a>}, number={103256}, journal={Vibrational Spectroscopy}, author={de los Arcos, Teresa and Müller, Hendrik and Wang, Fuzeng and Damerla, Varun Raj and Hoppe, Christian and Weinberger, Christian and Tiemann, Michael and Grundmeier, Guido}, year={2021} }","mla":"de los Arcos, Teresa, et al. “Review of Infrared Spectroscopy Techniques for the Determination of Internal Structure in Thin SiO2 Films.” <i>Vibrational Spectroscopy</i>, 103256, 2021, doi:<a href=\"https://doi.org/10.1016/j.vibspec.2021.103256\">10.1016/j.vibspec.2021.103256</a>.","short":"T. de los Arcos, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021)."},"year":"2021","publication_identifier":{"issn":["0924-2031"]},"quality_controlled":"1","publication_status":"published","doi":"10.1016/j.vibspec.2021.103256","title":"Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films","date_created":"2021-10-08T10:09:45Z","author":[{"full_name":"de los Arcos, Teresa","last_name":"de los Arcos","first_name":"Teresa"},{"first_name":"Hendrik","full_name":"Müller, Hendrik","last_name":"Müller"},{"first_name":"Fuzeng","last_name":"Wang","full_name":"Wang, Fuzeng"},{"last_name":"Damerla","full_name":"Damerla, Varun Raj","first_name":"Varun Raj"},{"first_name":"Christian","last_name":"Hoppe","full_name":"Hoppe, Christian"},{"last_name":"Weinberger","id":"11848","full_name":"Weinberger, Christian","first_name":"Christian"},{"first_name":"Michael","full_name":"Tiemann, Michael","id":"23547","last_name":"Tiemann","orcid":"0000-0003-1711-2722"},{"first_name":"Guido","last_name":"Grundmeier","id":"194","full_name":"Grundmeier, Guido"}],"date_updated":"2023-03-07T10:44:06Z"},{"title":"Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen ","language":[{"iso":"ger"}],"_id":"42812","date_updated":"2023-03-07T09:26:48Z","department":[{"_id":"145"}],"date_created":"2023-03-07T09:26:42Z","user_id":"15324","author":[{"first_name":"Alexander","full_name":"Olenberg, Alexander","last_name":"Olenberg"}],"year":"2021","status":"public","citation":{"short":"A. Olenberg, Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen , 2021.","bibtex":"@book{Olenberg_2021, title={Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen }, author={Olenberg, Alexander}, year={2021} }","mla":"Olenberg, Alexander. <i>Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen </i>. 2021.","apa":"Olenberg, A. (2021). <i>Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen </i>.","chicago":"Olenberg, Alexander. <i>Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen </i>, 2021.","ieee":"A. Olenberg, <i>Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen </i>. 2021.","ama":"Olenberg A. <i>Untersuchung und Optimierung von strukturierten Packungen mittels CFD-Simulationen </i>.; 2021."},"publication_identifier":{"isbn":["9783843947855"]},"type":"dissertation"}]