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Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. <i>Physical Review E</i>, <i>101</i>(1), Article 012207. <a href=\"https://doi.org/10.1103/physreve.101.012207\">https://doi.org/10.1103/physreve.101.012207</a>","chicago":"Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid.” <i>Physical Review E</i> 101, no. 1 (2020). <a href=\"https://doi.org/10.1103/physreve.101.012207\">https://doi.org/10.1103/physreve.101.012207</a>.","short":"M. Pukrop, S. Schumacher, Physical Review E 101 (2020)."},"publisher":"American Physical Society (APS)","_id":"40443","user_id":"16199","volume":101,"status":"public"},{"language":[{"iso":"eng"}],"article_number":"043002","doi":"10.1103/PhysRevResearch.2.043002","publication_identifier":{"eissn":["2643-1564"]},"author":[{"full_name":"Schmidt, Falko","orcid":"0000-0002-5071-5528","last_name":"Schmidt","first_name":"Falko","id":"35251"},{"first_name":"Agnieszka L.","orcid":"https://orcid.org/0000-0001-6584-0201","last_name":"Kozub","full_name":"Kozub, Agnieszka L.","id":"77566"},{"full_name":"Biktagirov, Timur","first_name":"Timur","last_name":"Biktagirov","id":"65612"},{"full_name":"Eigner, Christof","last_name":"Eigner","orcid":"https://orcid.org/0000-0002-5693-3083","first_name":"Christof","id":"13244"},{"id":"26263","last_name":"Silberhorn","first_name":"Christine","full_name":"Silberhorn, Christine"},{"id":"458","full_name":"Schindlmayr, Arno","first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X"},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"id":"171","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe"}],"year":"2020","title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","intvolume":"         2","article_type":"original","date_updated":"2023-04-20T16:06:21Z","publication_status":"published","date_created":"2020-09-09T09:35:21Z","file":[{"date_updated":"2020-10-02T07:37:24Z","relation":"main_file","file_size":1955183,"title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","content_type":"application/pdf","file_id":"19843","creator":"schindlm","description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","access_level":"open_access","file_name":"PhysRevResearch.2.043002.pdf","date_created":"2020-10-02T07:27:38Z"}],"department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"295"},{"_id":"288"},{"_id":"15"},{"_id":"170"},{"_id":"35"},{"_id":"790"}],"type":"journal_article","issue":"4","publication":"Physical Review Research","abstract":[{"text":"Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium niobate (LiNbO3). Total-energy calculations and the comparison of calculated electron paramagnetic resonance data with available measurements reveal the formation of bound \r\npolarons at Nb_Li antisite defects with a quasi-Jahn-Teller distorted, tilted configuration. The defect-formation energies further indicate that (bi)polarons may form not only at \r\nNb_Li antisites but also at structures where the antisite Nb atom moves into a neighboring empty oxygen octahedron. Based on these structure models, and on the calculated charge-transition levels and potential-energy barriers, we propose two mechanisms for the optical and thermal splitting of bipolarons, which provide a natural explanation for the reported two-path recombination of bipolarons. Optical-response calculations based on the Bethe-Salpeter equation, in combination with available experimental data and new measurements of the optical absorption spectrum, further corroborate the geometries proposed here for free and defect-bound (bi)polarons.","lang":"eng"}],"publisher":"American Physical Society","_id":"19190","volume":2,"ddc":["530"],"user_id":"16199","status":"public","has_accepted_license":"1","external_id":{"isi":["000604206300002"]},"oa":"1","isi":"1","citation":{"bibtex":"@article{Schmidt_Kozub_Biktagirov_Eigner_Silberhorn_Schindlmayr_Schmidt_Gerstmann_2020, title={Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}, volume={2}, DOI={<a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>}, number={4043002}, journal={Physical Review Research}, publisher={American Physical Society}, author={Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }","ama":"Schmidt F, Kozub AL, Biktagirov T, et al. Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. <i>Physical Review Research</i>. 2020;2(4). doi:<a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>","mla":"Schmidt, Falko, et al. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” <i>Physical Review Research</i>, vol. 2, no. 4, 043002, American Physical Society, 2020, doi:<a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>.","chicago":"Schmidt, Falko, Agnieszka L. Kozub, Timur Biktagirov, Christof Eigner, Christine Silberhorn, Arno Schindlmayr, Wolf Gero Schmidt, and Uwe Gerstmann. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” <i>Physical Review Research</i> 2, no. 4 (2020). <a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">https://doi.org/10.1103/PhysRevResearch.2.043002</a>.","short":"F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).","ieee":"F. Schmidt <i>et al.</i>, “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” <i>Physical Review Research</i>, vol. 2, no. 4, Art. no. 043002, 2020, doi: <a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">10.1103/PhysRevResearch.2.043002</a>.","apa":"Schmidt, F., Kozub, A. L., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., Schmidt, W. G., &#38; Gerstmann, U. (2020). Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. <i>Physical Review Research</i>, <i>2</i>(4), Article 043002. <a href=\"https://doi.org/10.1103/PhysRevResearch.2.043002\">https://doi.org/10.1103/PhysRevResearch.2.043002</a>"},"file_date_updated":"2020-10-02T07:37:24Z","project":[{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"quality_controlled":"1"},{"date_created":"2020-05-29T09:51:10Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"type":"journal_article","citation":{"ieee":"H. Aldahhak <i>et al.</i>, “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures,” <i>The Journal of Physical Chemistry C</i>, no. 124, pp. 6090–6102, 2020, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>.","apa":"Aldahhak, H., Powroźnik, P., Pander, P., Jakubik, W., Dias, F. B., Schmidt, W. G., Gerstmann, U., &#38; Krzywiecki, M. (2020). Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. <i>The Journal of Physical Chemistry C</i>, <i>124</i>, 6090–6102. <a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">https://doi.org/10.1021/acs.jpcc.9b11116</a>","chicago":"Aldahhak, Hazem, Paulina Powroźnik, Piotr Pander, Wiesław Jakubik, Fernando B. Dias, Wolf Gero Schmidt, Uwe Gerstmann, and Maciej Krzywiecki. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” <i>The Journal of Physical Chemistry C</i>, no. 124 (2020): 6090–6102. <a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">https://doi.org/10.1021/acs.jpcc.9b11116</a>.","short":"H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt, U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102.","mla":"Aldahhak, Hazem, et al. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” <i>The Journal of Physical Chemistry C</i>, no. 124, 2020, pp. 6090–102, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>.","bibtex":"@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020, title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>}, number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}, year={2020}, pages={6090–6102} }","ama":"Aldahhak H, Powroźnik P, Pander P, et al. Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. <i>The Journal of Physical Chemistry C</i>. 2020;(124):6090-6102. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.9b11116\">10.1021/acs.jpcc.9b11116</a>"},"issue":"124","publication":"The Journal of Physical Chemistry C","project":[{"_id":"52","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":"17066","language":[{"iso":"eng"}],"page":"6090-6102","user_id":"16199","doi":"10.1021/acs.jpcc.9b11116","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"full_name":"Aldahhak, Hazem","last_name":"Aldahhak","first_name":"Hazem"},{"full_name":"Powroźnik, Paulina","last_name":"Powroźnik","first_name":"Paulina"},{"last_name":"Pander","first_name":"Piotr","full_name":"Pander, Piotr"},{"first_name":"Wiesław","last_name":"Jakubik","full_name":"Jakubik, Wiesław"},{"last_name":"Dias","first_name":"Fernando B.","full_name":"Dias, Fernando B."},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468"},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X"},{"last_name":"Krzywiecki","first_name":"Maciej","full_name":"Krzywiecki, Maciej"}],"year":"2020","title":"Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures","status":"public","publication_status":"published","date_updated":"2023-04-20T16:07:15Z"},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"type":"journal_article","date_created":"2020-05-29T09:58:08Z","project":[{"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"}],"citation":{"apa":"Biktagirov, T., Schmidt, W. G., &#38; Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. <i>Physical Review Research</i>, <i>2</i>(2). <a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">https://doi.org/10.1103/physrevresearch.2.022024</a>","ieee":"T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits,” <i>Physical Review Research</i>, vol. 2, no. 2, 2020, doi: <a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>.","chicago":"Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” <i>Physical Review Research</i> 2, no. 2 (2020). <a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">https://doi.org/10.1103/physrevresearch.2.022024</a>.","short":"T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).","mla":"Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” <i>Physical Review Research</i>, vol. 2, no. 2, 2020, doi:<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>.","ama":"Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. <i>Physical Review Research</i>. 2020;2(2). doi:<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>","bibtex":"@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, volume={2}, DOI={<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>}, number={2}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }"},"publication":"Physical Review Research","issue":"2","volume":2,"doi":"10.1103/physrevresearch.2.022024","user_id":"16199","_id":"17069","language":[{"iso":"eng"}],"intvolume":"         2","date_updated":"2023-04-20T16:05:57Z","publication_status":"published","publication_identifier":{"issn":["2643-1564"]},"author":[{"full_name":"Biktagirov, Timur","last_name":"Biktagirov","first_name":"Timur","id":"65612"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt"},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"}],"year":"2020","title":"Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits","status":"public"},{"publication_identifier":{"issn":["2643-1564"]},"author":[{"id":"65612","full_name":"Biktagirov, Timur","last_name":"Biktagirov","first_name":"Timur"},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","id":"468"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe","full_name":"Gerstmann, Uwe","id":"171"}],"year":"2020","title":"Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits","status":"public","publication_status":"published","date_updated":"2023-04-20T16:08:20Z","language":[{"iso":"eng"}],"_id":"19194","user_id":"16199","doi":"10.1103/physrevresearch.2.022024","citation":{"bibtex":"@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, DOI={<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }","ama":"Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. <i>Physical Review Research</i>. Published online 2020. doi:<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>","mla":"Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” <i>Physical Review Research</i>, 2020, doi:<a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>.","chicago":"Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” <i>Physical Review Research</i>, 2020. <a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">https://doi.org/10.1103/physrevresearch.2.022024</a>.","short":"T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research (2020).","ieee":"T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits,” <i>Physical Review Research</i>, 2020, doi: <a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">10.1103/physrevresearch.2.022024</a>.","apa":"Biktagirov, T., Schmidt, W. G., &#38; Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. <i>Physical Review Research</i>. <a href=\"https://doi.org/10.1103/physrevresearch.2.022024\">https://doi.org/10.1103/physrevresearch.2.022024</a>"},"publication":"Physical Review Research","project":[{"_id":"52","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"}],"date_created":"2020-09-09T09:22:14Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"type":"journal_article"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"Langmuir","citation":{"ama":"Niederhausen J, MacQueen RW, Lips K, Aldahhak H, Schmidt WG, Gerstmann U. Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. <i>Langmuir</i>. Published online 2020:9099-9113. doi:<a href=\"https://doi.org/10.1021/acs.langmuir.0c01154\">10.1021/acs.langmuir.0c01154</a>","bibtex":"@article{Niederhausen_MacQueen_Lips_Aldahhak_Schmidt_Gerstmann_2020, title={Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}, DOI={<a href=\"https://doi.org/10.1021/acs.langmuir.0c01154\">10.1021/acs.langmuir.0c01154</a>}, journal={Langmuir}, author={Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020}, pages={9099–9113} }","mla":"Niederhausen, Jens, et al. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” <i>Langmuir</i>, 2020, pp. 9099–113, doi:<a href=\"https://doi.org/10.1021/acs.langmuir.0c01154\">10.1021/acs.langmuir.0c01154</a>.","chicago":"Niederhausen, Jens, Rowan W. MacQueen, Klaus Lips, Hazem Aldahhak, Wolf Gero Schmidt, and Uwe Gerstmann. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” <i>Langmuir</i>, 2020, 9099–9113. <a href=\"https://doi.org/10.1021/acs.langmuir.0c01154\">https://doi.org/10.1021/acs.langmuir.0c01154</a>.","short":"J. Niederhausen, R.W. MacQueen, K. Lips, H. Aldahhak, W.G. Schmidt, U. Gerstmann, Langmuir (2020) 9099–9113.","apa":"Niederhausen, J., MacQueen, R. W., Lips, K., Aldahhak, H., Schmidt, W. G., &#38; Gerstmann, U. (2020). Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. <i>Langmuir</i>, 9099–9113. <a href=\"https://doi.org/10.1021/acs.langmuir.0c01154\">https://doi.org/10.1021/acs.langmuir.0c01154</a>","ieee":"J. Niederhausen, R. W. MacQueen, K. Lips, H. Aldahhak, W. G. Schmidt, and U. Gerstmann, “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon,” <i>Langmuir</i>, pp. 9099–9113, 2020, doi: <a href=\"https://doi.org/10.1021/acs.langmuir.0c01154\">10.1021/acs.langmuir.0c01154</a>."},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"date_created":"2020-09-09T09:18:57Z","date_updated":"2023-04-20T16:08:01Z","publication_status":"published","status":"public","year":"2020","title":"Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon","author":[{"last_name":"Niederhausen","first_name":"Jens","full_name":"Niederhausen, Jens"},{"full_name":"MacQueen, Rowan W.","first_name":"Rowan W.","last_name":"MacQueen"},{"last_name":"Lips","first_name":"Klaus","full_name":"Lips, Klaus"},{"last_name":"Aldahhak","first_name":"Hazem","full_name":"Aldahhak, Hazem"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"},{"id":"171","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","first_name":"Uwe","orcid":"0000-0002-4476-223X"}],"publication_identifier":{"issn":["0743-7463","1520-5827"]},"doi":"10.1021/acs.langmuir.0c01154","user_id":"16199","page":"9099-9113","language":[{"iso":"eng"}],"_id":"19193"},{"citation":{"short":"M. Krenz, U. Gerstmann, W.G. Schmidt, ACS Omega (2020) 24057–24063.","chicago":"Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” <i>ACS Omega</i>, 2020, 24057–63. <a href=\"https://doi.org/10.1021/acsomega.0c03483\">https://doi.org/10.1021/acsomega.0c03483</a>.","apa":"Krenz, M., Gerstmann, U., &#38; Schmidt, W. G. (2020). Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. <i>ACS Omega</i>, 24057–24063. <a href=\"https://doi.org/10.1021/acsomega.0c03483\">https://doi.org/10.1021/acsomega.0c03483</a>","ieee":"M. Krenz, U. Gerstmann, and W. G. Schmidt, “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory,” <i>ACS Omega</i>, pp. 24057–24063, 2020, doi: <a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>.","ama":"Krenz M, Gerstmann U, Schmidt WG. Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. <i>ACS Omega</i>. Published online 2020:24057-24063. doi:<a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>","bibtex":"@article{Krenz_Gerstmann_Schmidt_2020, title={Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}, DOI={<a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>}, journal={ACS Omega}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2020}, pages={24057–24063} }","mla":"Krenz, Marvin, et al. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” <i>ACS Omega</i>, 2020, pp. 24057–63, doi:<a href=\"https://doi.org/10.1021/acsomega.0c03483\">10.1021/acsomega.0c03483</a>."},"publication":"ACS Omega","project":[{"_id":"52","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"}],"date_created":"2020-09-24T11:10:47Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"type":"journal_article","publication_identifier":{"issn":["2470-1343","2470-1343"]},"author":[{"full_name":"Krenz, Marvin","first_name":"Marvin","last_name":"Krenz","id":"52309"},{"orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"}],"title":"Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory","status":"public","year":"2020","date_updated":"2023-04-20T16:06:43Z","publication_status":"published","_id":"19654","language":[{"iso":"eng"}],"page":"24057-24063","doi":"10.1021/acsomega.0c03483","user_id":"16199"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"ieee":"R. Zuo, X. Song, T. Meier, and W. Yang, “Carrier-wave population transfer in semiconductors,” <i>Journal of Physics: Conference Series</i>, vol. 1412, no. 8, Art. no. 082005, 2020, doi: <a href=\"https://doi.org/10.1088/1742-6596/1412/8/082005\">10.1088/1742-6596/1412/8/082005</a>.","apa":"Zuo, R., Song, X., Meier, T., &#38; Yang, W. (2020). Carrier-wave population transfer in semiconductors. <i>Journal of Physics: Conference Series</i>, <i>1412</i>(8), Article 082005. <a href=\"https://doi.org/10.1088/1742-6596/1412/8/082005\">https://doi.org/10.1088/1742-6596/1412/8/082005</a>","chicago":"Zuo, R, X Song, Torsten Meier, and W Yang. “Carrier-Wave Population Transfer in Semiconductors.” <i>Journal of Physics: Conference Series</i> 1412, no. 8 (2020). <a href=\"https://doi.org/10.1088/1742-6596/1412/8/082005\">https://doi.org/10.1088/1742-6596/1412/8/082005</a>.","short":"R. Zuo, X. Song, T. Meier, W. Yang, Journal of Physics: Conference Series 1412 (2020).","mla":"Zuo, R., et al. “Carrier-Wave Population Transfer in Semiconductors.” <i>Journal of Physics: Conference Series</i>, vol. 1412, no. 8, 082005, 2020, doi:<a href=\"https://doi.org/10.1088/1742-6596/1412/8/082005\">10.1088/1742-6596/1412/8/082005</a>.","bibtex":"@article{Zuo_Song_Meier_Yang_2020, title={Carrier-wave population transfer in semiconductors}, volume={1412}, DOI={<a href=\"https://doi.org/10.1088/1742-6596/1412/8/082005\">10.1088/1742-6596/1412/8/082005</a>}, number={8082005}, journal={Journal of Physics: Conference Series}, author={Zuo, R and Song, X and Meier, Torsten and Yang, W}, year={2020} }","ama":"Zuo R, Song X, Meier T, Yang W. Carrier-wave population transfer in semiconductors. <i>Journal of Physics: Conference Series</i>. 2020;1412(8). doi:<a href=\"https://doi.org/10.1088/1742-6596/1412/8/082005\">10.1088/1742-6596/1412/8/082005</a>"},"volume":1412,"user_id":"16199","_id":"22883","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"}],"type":"journal_article","date_created":"2021-07-29T08:04:10Z","publication":"Journal of Physics: Conference Series","issue":"8","doi":"10.1088/1742-6596/1412/8/082005","language":[{"iso":"eng"}],"article_number":"082005","intvolume":"      1412","publication_status":"published","date_updated":"2023-04-21T11:24:48Z","author":[{"last_name":"Zuo","first_name":"R","full_name":"Zuo, R"},{"last_name":"Song","first_name":"X","full_name":"Song, X"},{"first_name":"Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier","full_name":"Meier, Torsten","id":"344"},{"full_name":"Yang, W","first_name":"W","last_name":"Yang"}],"publication_identifier":{"issn":["1742-6588","1742-6596"]},"title":"Carrier-wave population transfer in semiconductors","year":"2020"},{"publication":"ACS Applied Materials & Interfaces","citation":{"chicago":"Ivanova, Alesja, Bruno Frka-Petesic, Andrej Paul, Thorsten Wagner, Askhat N. Jumabekov, Yury Vilk, Johannes Weber, et al. “Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing.” <i>ACS Applied Materials &#38; Interfaces</i>, 2020, 12639–47. <a href=\"https://doi.org/10.1021/acsami.9b11891\">https://doi.org/10.1021/acsami.9b11891</a>.","short":"A. Ivanova, B. Frka-Petesic, A. Paul, T. Wagner, A.N. Jumabekov, Y. Vilk, J. Weber, J. Schmedt auf der Günne, S. Vignolini, M. Tiemann, D. Fattakhova-Rohlfing, T. Bein, ACS Applied Materials &#38; Interfaces (2020) 12639–12647.","ieee":"A. Ivanova <i>et al.</i>, “Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing,” <i>ACS Applied Materials &#38; Interfaces</i>, pp. 12639–12647, 2020, doi: <a href=\"https://doi.org/10.1021/acsami.9b11891\">10.1021/acsami.9b11891</a>.","apa":"Ivanova, A., Frka-Petesic, B., Paul, A., Wagner, T., Jumabekov, A. N., Vilk, Y., Weber, J., Schmedt auf der Günne, J., Vignolini, S., Tiemann, M., Fattakhova-Rohlfing, D., &#38; Bein, T. (2020). Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing. <i>ACS Applied Materials &#38; Interfaces</i>, 12639–12647. <a href=\"https://doi.org/10.1021/acsami.9b11891\">https://doi.org/10.1021/acsami.9b11891</a>","bibtex":"@article{Ivanova_Frka-Petesic_Paul_Wagner_Jumabekov_Vilk_Weber_Schmedt auf der Günne_Vignolini_Tiemann_et al._2020, title={Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing}, DOI={<a href=\"https://doi.org/10.1021/acsami.9b11891\">10.1021/acsami.9b11891</a>}, journal={ACS Applied Materials &#38; Interfaces}, author={Ivanova, Alesja and Frka-Petesic, Bruno and Paul, Andrej and Wagner, Thorsten and Jumabekov, Askhat N. and Vilk, Yury and Weber, Johannes and Schmedt auf der Günne, Jörn and Vignolini, Silvia and Tiemann, Michael and et al.}, year={2020}, pages={12639–12647} }","ama":"Ivanova A, Frka-Petesic B, Paul A, et al. Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing. <i>ACS Applied Materials &#38; Interfaces</i>. Published online 2020:12639-12647. doi:<a href=\"https://doi.org/10.1021/acsami.9b11891\">10.1021/acsami.9b11891</a>","mla":"Ivanova, Alesja, et al. “Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing.” <i>ACS Applied Materials &#38; Interfaces</i>, 2020, pp. 12639–47, doi:<a href=\"https://doi.org/10.1021/acsami.9b11891\">10.1021/acsami.9b11891</a>."},"abstract":[{"lang":"eng","text":"Porous tin dioxide is an important low-cost semiconductor applied in electronics, gas sensors, and biosensors. Here, we present a versatile template-assisted synthesis of nanostructured tin dioxide thin films using cellulose nanocrystals (CNCs). We demonstrate that the structural features of CNC-templated tin dioxide films strongly depend on the precursor composition. The precursor properties were studied by using low-temperature nuclear magnetic resonance spectroscopy of tin tetrachloride in solution. We demonstrate that it is possible to optimize the precursor conditions to obtain homogeneous precursor mixtures and therefore highly porous thin films with pore dimensions in the range of 10–20 nm (ABET = 46–64 m2 g–1, measured on powder). Finally, by exploiting the high surface area of the material, we developed a resistive gas sensor based on CNC-templated tin dioxide. The sensor shows high sensitivity to carbon monoxide (CO) in ppm concentrations and low cross-sensitivity to humidity. Most importantly, the sensing kinetics are remarkably fast; both the response to the analyte gas and the signal decay after gas exposure occur within a few seconds, faster than in standard SnO2-based CO sensors. This is attributed to the high gas accessibility of the very thin porous film."}],"quality_controlled":"1","date_created":"2021-10-08T10:39:27Z","type":"journal_article","department":[{"_id":"35"},{"_id":"2"},{"_id":"307"}],"status":"public","title":"Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing","year":"2020","publication_identifier":{"issn":["1944-8244","1944-8252"]},"author":[{"first_name":"Alesja","last_name":"Ivanova","full_name":"Ivanova, Alesja"},{"first_name":"Bruno","last_name":"Frka-Petesic","full_name":"Frka-Petesic, Bruno"},{"full_name":"Paul, Andrej","last_name":"Paul","first_name":"Andrej"},{"full_name":"Wagner, Thorsten","first_name":"Thorsten","last_name":"Wagner"},{"full_name":"Jumabekov, Askhat N.","first_name":"Askhat N.","last_name":"Jumabekov"},{"full_name":"Vilk, Yury","first_name":"Yury","last_name":"Vilk"},{"full_name":"Weber, Johannes","last_name":"Weber","first_name":"Johannes"},{"full_name":"Schmedt auf der Günne, Jörn","last_name":"Schmedt auf der Günne","first_name":"Jörn"},{"first_name":"Silvia","last_name":"Vignolini","full_name":"Vignolini, Silvia"},{"id":"23547","first_name":"Michael","orcid":"0000-0003-1711-2722","last_name":"Tiemann","full_name":"Tiemann, Michael"},{"first_name":"Dina","last_name":"Fattakhova-Rohlfing","full_name":"Fattakhova-Rohlfing, Dina"},{"first_name":"Thomas","last_name":"Bein","full_name":"Bein, Thomas"}],"publication_status":"published","date_updated":"2023-03-08T08:23:16Z","article_type":"original","page":"12639-12647","_id":"25903","language":[{"iso":"eng"}],"user_id":"23547","doi":"10.1021/acsami.9b11891"},{"citation":{"mla":"Chen, Zimei, et al. “Nanoporous Aluminum Oxide Micropatterns Prepared by Hydrogel Templating.” <i>Nanotechnology</i>, vol. 31, 445601, IOP Publishing, 2020, doi:<a href=\"https://doi.org/10.1088/1361-6528/aba710\">10.1088/1361-6528/aba710</a>.","bibtex":"@article{Chen_Kuckling_Tiemann_2020, title={Nanoporous aluminum oxide micropatterns prepared by hydrogel templating}, volume={31}, DOI={<a href=\"https://doi.org/10.1088/1361-6528/aba710\">10.1088/1361-6528/aba710</a>}, number={445601}, journal={Nanotechnology}, publisher={IOP Publishing}, author={Chen, Zimei and Kuckling, Dirk and Tiemann, Michael}, year={2020} }","ama":"Chen Z, Kuckling D, Tiemann M. Nanoporous aluminum oxide micropatterns prepared by hydrogel templating. <i>Nanotechnology</i>. 2020;31. doi:<a href=\"https://doi.org/10.1088/1361-6528/aba710\">10.1088/1361-6528/aba710</a>","ieee":"Z. Chen, D. Kuckling, and M. Tiemann, “Nanoporous aluminum oxide micropatterns prepared by hydrogel templating,” <i>Nanotechnology</i>, vol. 31, Art. no. 445601, 2020, doi: <a href=\"https://doi.org/10.1088/1361-6528/aba710\">10.1088/1361-6528/aba710</a>.","apa":"Chen, Z., Kuckling, D., &#38; Tiemann, M. (2020). Nanoporous aluminum oxide micropatterns prepared by hydrogel templating. <i>Nanotechnology</i>, <i>31</i>, Article 445601. <a href=\"https://doi.org/10.1088/1361-6528/aba710\">https://doi.org/10.1088/1361-6528/aba710</a>","chicago":"Chen, Zimei, Dirk Kuckling, and Michael Tiemann. “Nanoporous Aluminum Oxide Micropatterns Prepared by Hydrogel Templating.” <i>Nanotechnology</i> 31 (2020). <a href=\"https://doi.org/10.1088/1361-6528/aba710\">https://doi.org/10.1088/1361-6528/aba710</a>.","short":"Z. Chen, D. Kuckling, M. Tiemann, Nanotechnology 31 (2020)."},"quality_controlled":"1","oa":"1","status":"public","_id":"23854","publisher":"IOP Publishing","volume":31,"user_id":"23547","publication":"Nanotechnology","abstract":[{"text":"Micropatterned nanoporous aluminum oxide arrays are prepared on silicon wafer substrates by using photopolymerized poly(dimethylacrylamide) hydrogels as porogenic matrices. Hydrogel micropatterns are fabricated by spreading the prepolymer mixture on the substrate, followed by UV photopolymerization through a micropatterned mask. The hydrogel is covalently bonded to the substrate surface. Al2O3 is produced by swelling the hydrogel in a saturated aluminum nitrate solution and subsequent thermal conversion/calcination. As a result, micropatterned porous Al2O3 microdots with heights in µm range and large specific surface areas up to 274 m2 g−1 are obtained. Hence, the hydrogel fulfills a dual templating function, namely micropatterning and nanoporosity generation. The impact of varying the photopolymerization time on the properties of the products is studied. Samples are characterized by light and confocal laser scanning microscopy, scanning electron microscopy, energy-dispersive x-ray spectrometry, and Kr physisorption analysis.","lang":"eng"}],"date_created":"2021-09-07T10:23:25Z","department":[{"_id":"311"},{"_id":"35"},{"_id":"307"},{"_id":"2"}],"type":"journal_article","publication_identifier":{"issn":["0957-4484","1361-6528"]},"author":[{"first_name":"Zimei","last_name":"Chen","full_name":"Chen, Zimei"},{"full_name":"Kuckling, Dirk","first_name":"Dirk","last_name":"Kuckling","id":"287"},{"full_name":"Tiemann, Michael","first_name":"Michael","last_name":"Tiemann","orcid":"0000-0003-1711-2722","id":"23547"}],"year":"2020","title":"Nanoporous aluminum oxide micropatterns prepared by hydrogel templating","intvolume":"        31","article_type":"original","date_updated":"2023-03-08T08:26:12Z","publication_status":"published","language":[{"iso":"eng"}],"main_file_link":[{"url":"https://iopscience.iop.org/article/10.1088/1361-6528/aba710/pdf","open_access":"1"}],"article_number":"445601","doi":"10.1088/1361-6528/aba710"},{"oa":"1","citation":{"short":"X. Zhang, C. Weinberger, S. Amrehn, X. Wu, M. Tiemann, T. Wagner, European Journal of Inorganic Chemistry (2020) 3402–3407.","chicago":"Zhang, Xuyang, Christian Weinberger, Sabrina Amrehn, Xia Wu, Michael Tiemann, and Thorsten Wagner. “Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating.” <i>European Journal of Inorganic Chemistry</i>, 2020, 3402–7. <a href=\"https://doi.org/10.1002/ejic.202000517\">https://doi.org/10.1002/ejic.202000517</a>.","ieee":"X. Zhang, C. Weinberger, S. Amrehn, X. Wu, M. Tiemann, and T. Wagner, “Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating,” <i>European Journal of Inorganic Chemistry</i>, pp. 3402–3407, 2020, doi: <a href=\"https://doi.org/10.1002/ejic.202000517\">10.1002/ejic.202000517</a>.","apa":"Zhang, X., Weinberger, C., Amrehn, S., Wu, X., Tiemann, M., &#38; Wagner, T. (2020). Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating. <i>European Journal of Inorganic Chemistry</i>, 3402–3407. <a href=\"https://doi.org/10.1002/ejic.202000517\">https://doi.org/10.1002/ejic.202000517</a>","bibtex":"@article{Zhang_Weinberger_Amrehn_Wu_Tiemann_Wagner_2020, title={Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating}, DOI={<a href=\"https://doi.org/10.1002/ejic.202000517\">10.1002/ejic.202000517</a>}, journal={European Journal of Inorganic Chemistry}, author={Zhang, Xuyang and Weinberger, Christian and Amrehn, Sabrina and Wu, Xia and Tiemann, Michael and Wagner, Thorsten}, year={2020}, pages={3402–3407} }","ama":"Zhang X, Weinberger C, Amrehn S, Wu X, Tiemann M, Wagner T. Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating. <i>European Journal of Inorganic Chemistry</i>. Published online 2020:3402-3407. doi:<a href=\"https://doi.org/10.1002/ejic.202000517\">10.1002/ejic.202000517</a>","mla":"Zhang, Xuyang, et al. “Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating.” <i>European Journal of Inorganic Chemistry</i>, 2020, pp. 3402–07, doi:<a href=\"https://doi.org/10.1002/ejic.202000517\">10.1002/ejic.202000517</a>."},"quality_controlled":"1","_id":"25898","page":"3402-3407","user_id":"23547","status":"public","date_created":"2021-10-08T10:32:08Z","department":[{"_id":"35"},{"_id":"2"},{"_id":"307"}],"type":"journal_article","publication":"European Journal of Inorganic Chemistry","abstract":[{"text":"Metal oxide inverse opals are interesting for various applications. To achieve highly ordered inverse opal structures, one important issue during the colloidal crystal templating procedure is to form a stable precursor network before the template loses its structural integrity at high temperature. Using poly(methyl methacrylate), PMMA, colloidal crystal templates, it is essential to consider the physical and chemical changes of the precursors induced by the changes of PMMA during the thermal conversion. For a systematic investigation of this matter, we synthesized a variety of metal oxide inverse opals from the respective metal nitrates, including Cr2O3, Ga2O3, Fe2O3, In2O3, CuO, CeO2, and ZnO, to compare the effect of various modifications of precursors on the structural and optical properties. When the nitrate precursors have a lower thermal stability than the PMMA template, we have modified the metal nitrates by chelating or by polyacrylamide gelation to form more stable precursor networks.","lang":"eng"}],"language":[{"iso":"eng"}],"main_file_link":[{"url":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.202000517","open_access":"1"}],"doi":"10.1002/ejic.202000517","publication_identifier":{"issn":["1434-1948","1099-0682"]},"author":[{"last_name":"Zhang","first_name":"Xuyang","full_name":"Zhang, Xuyang"},{"id":"11848","last_name":"Weinberger","first_name":"Christian","full_name":"Weinberger, Christian"},{"last_name":"Amrehn","first_name":"Sabrina","full_name":"Amrehn, Sabrina"},{"last_name":"Wu","first_name":"Xia","full_name":"Wu, Xia"},{"full_name":"Tiemann, Michael","first_name":"Michael","orcid":"0000-0003-1711-2722","last_name":"Tiemann","id":"23547"},{"full_name":"Wagner, Thorsten","last_name":"Wagner","first_name":"Thorsten"}],"year":"2020","title":"Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating","article_type":"original","publication_status":"published","date_updated":"2023-03-08T08:24:24Z"},{"oa":"1","quality_controlled":"1","citation":{"chicago":"Javed, Ali, Thorsten Wagner, Stephan Wöhlbrandt, Norbert Stock, and Michael Tiemann. “Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight.” <i>ChemPhysChem</i>, 2020, 605–9. <a href=\"https://doi.org/10.1002/cphc.202000102\">https://doi.org/10.1002/cphc.202000102</a>.","short":"A. Javed, T. Wagner, S. Wöhlbrandt, N. Stock, M. Tiemann, ChemPhysChem (2020) 605–609.","ieee":"A. Javed, T. Wagner, S. Wöhlbrandt, N. Stock, and M. Tiemann, “Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight,” <i>ChemPhysChem</i>, pp. 605–609, 2020, doi: <a href=\"https://doi.org/10.1002/cphc.202000102\">10.1002/cphc.202000102</a>.","apa":"Javed, A., Wagner, T., Wöhlbrandt, S., Stock, N., &#38; Tiemann, M. (2020). Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight. <i>ChemPhysChem</i>, 605–609. <a href=\"https://doi.org/10.1002/cphc.202000102\">https://doi.org/10.1002/cphc.202000102</a>","bibtex":"@article{Javed_Wagner_Wöhlbrandt_Stock_Tiemann_2020, title={Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight}, DOI={<a href=\"https://doi.org/10.1002/cphc.202000102\">10.1002/cphc.202000102</a>}, journal={ChemPhysChem}, author={Javed, Ali and Wagner, Thorsten and Wöhlbrandt, Stephan and Stock, Norbert and Tiemann, Michael}, year={2020}, pages={605–609} }","ama":"Javed A, Wagner T, Wöhlbrandt S, Stock N, Tiemann M. Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight. <i>ChemPhysChem</i>. Published online 2020:605-609. doi:<a href=\"https://doi.org/10.1002/cphc.202000102\">10.1002/cphc.202000102</a>","mla":"Javed, Ali, et al. “Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight.” <i>ChemPhysChem</i>, 2020, pp. 605–09, doi:<a href=\"https://doi.org/10.1002/cphc.202000102\">10.1002/cphc.202000102</a>."},"user_id":"23547","page":"605-609","_id":"25900","status":"public","type":"journal_article","department":[{"_id":"35"},{"_id":"2"},{"_id":"307"}],"date_created":"2021-10-08T10:35:08Z","abstract":[{"lang":"eng","text":"The proton conduction properties of a phosphonato-sulfonate-based coordination polymer are studied by impedance spectroscopy using a single crystal specimen. Two distinct conduction mechanisms are identified. Water-mediated conductance along the crystal surface occurs by mass transport, as evidenced by a high activation energy (0.54 eV). In addition, intrinsic conduction by proton ′hopping′ through the interior of the crystal with a low activation energy (0.31 eV) is observed. This latter conduction is anisotropic with respect to the crystal structure and seems to occur through a channel along the c axis of the orthorhombic crystal. Proton conduction is assumed to be mediated by sulfonate groups and non-coordinating water molecules that are part of the crystal structure."}],"publication":"ChemPhysChem","doi":"10.1002/cphc.202000102","main_file_link":[{"open_access":"1","url":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202000102"}],"language":[{"iso":"eng"}],"date_updated":"2023-03-08T08:25:21Z","publication_status":"published","article_type":"original","title":"Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight","year":"2020","author":[{"full_name":"Javed, Ali","first_name":"Ali","last_name":"Javed"},{"full_name":"Wagner, Thorsten","last_name":"Wagner","first_name":"Thorsten"},{"full_name":"Wöhlbrandt, Stephan","first_name":"Stephan","last_name":"Wöhlbrandt"},{"full_name":"Stock, Norbert","last_name":"Stock","first_name":"Norbert"},{"orcid":"0000-0003-1711-2722","last_name":"Tiemann","first_name":"Michael","full_name":"Tiemann, Michael","id":"23547"}],"publication_identifier":{"issn":["1439-4235","1439-7641"]}},{"user_id":"23547","_id":"25902","status":"public","oa":"1","citation":{"mla":"Weinberger, Christian, and Michael Tiemann. “Functional Nanoporous Materials.” <i>Nanomaterials</i>, 699, 2020, doi:<a href=\"https://doi.org/10.3390/nano10040699\">10.3390/nano10040699</a>.","bibtex":"@article{Weinberger_Tiemann_2020, title={Functional Nanoporous Materials}, DOI={<a href=\"https://doi.org/10.3390/nano10040699\">10.3390/nano10040699</a>}, number={699}, journal={Nanomaterials}, author={Weinberger, Christian and Tiemann, Michael}, year={2020} }","ama":"Weinberger C, Tiemann M. Functional Nanoporous Materials. <i>Nanomaterials</i>. Published online 2020. doi:<a href=\"https://doi.org/10.3390/nano10040699\">10.3390/nano10040699</a>","ieee":"C. Weinberger and M. Tiemann, “Functional Nanoporous Materials,” <i>Nanomaterials</i>, Art. no. 699, 2020, doi: <a href=\"https://doi.org/10.3390/nano10040699\">10.3390/nano10040699</a>.","apa":"Weinberger, C., &#38; Tiemann, M. (2020). Functional Nanoporous Materials. <i>Nanomaterials</i>, Article 699. <a href=\"https://doi.org/10.3390/nano10040699\">https://doi.org/10.3390/nano10040699</a>","chicago":"Weinberger, Christian, and Michael Tiemann. “Functional Nanoporous Materials.” <i>Nanomaterials</i>, 2020. <a href=\"https://doi.org/10.3390/nano10040699\">https://doi.org/10.3390/nano10040699</a>.","short":"C. Weinberger, M. Tiemann, Nanomaterials (2020)."},"doi":"10.3390/nano10040699","article_number":"699","main_file_link":[{"open_access":"1","url":"https://www.mdpi.com/2079-4991/10/4/699/pdf?version=1586249724"}],"language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2023-03-08T08:27:09Z","article_type":"original","year":"2020","title":"Functional Nanoporous Materials","publication_identifier":{"issn":["2079-4991"]},"author":[{"full_name":"Weinberger, Christian","first_name":"Christian","last_name":"Weinberger","id":"11848"},{"id":"23547","full_name":"Tiemann, Michael","first_name":"Michael","last_name":"Tiemann","orcid":"0000-0003-1711-2722"}],"type":"journal_article","department":[{"_id":"2"},{"_id":"307"},{"_id":"35"}],"date_created":"2021-10-08T10:37:54Z","abstract":[{"text":"This Special Issue on “Functional Nanoporous Materials” in the MDPI journal nanomaterials features seven original papers ...","lang":"eng"}],"publication":"Nanomaterials"},{"user_id":"16199","doi":"10.22331/q-2020-10-15-343","_id":"26290","language":[{"iso":"eng"}],"article_number":"343","publication_status":"published","date_updated":"2023-04-20T15:12:58Z","author":[{"first_name":"Martin","last_name":"Bohmann","full_name":"Bohmann, Martin"},{"last_name":"Agudelo","first_name":"Elizabeth","full_name":"Agudelo, Elizabeth"},{"last_name":"Sperling","first_name":"Jan","orcid":"0000-0002-5844-3205","full_name":"Sperling, Jan","id":"75127"}],"publication_identifier":{"issn":["2521-327X"]},"title":"Probing nonclassicality with matrices of phase-space distributions","year":"2020","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"706"},{"_id":"35"}],"type":"journal_article","date_created":"2021-10-15T16:10:46Z","abstract":[{"text":"<jats:p>We devise a method to certify nonclassical features via correlations of phase-space distributions by unifying the notions of quasiprobabilities and matrices of correlation functions. Our approach complements and extends recent results that were based on Chebyshev's integral inequality \\cite{BA19}. The method developed here correlates arbitrary phase-space functions at arbitrary points in phase space, including multimode scenarios and higher-order correlations. Furthermore, our approach provides necessary and sufficient nonclassicality criteria, applies to phase-space functions beyond <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mi>s</mml:mi></mml:math>-parametrized ones, and is accessible in experiments. To demonstrate the power of our technique, the quantum characteristics of discrete- and continuous-variable, single- and multimode, as well as pure and mixed states are certified only employing second-order correlations and Husimi functions, which always resemble a classical probability distribution. Moreover, nonlinear generalizations of our approach are studied. Therefore, a versatile and broadly applicable framework is devised to uncover quantum properties in terms of matrices of phase-space distributions.</jats:p>","lang":"eng"}],"citation":{"apa":"Bohmann, M., Agudelo, E., &#38; Sperling, J. (2020). Probing nonclassicality with matrices of phase-space distributions. <i>Quantum</i>, Article 343. <a href=\"https://doi.org/10.22331/q-2020-10-15-343\">https://doi.org/10.22331/q-2020-10-15-343</a>","ieee":"M. Bohmann, E. Agudelo, and J. Sperling, “Probing nonclassicality with matrices of phase-space distributions,” <i>Quantum</i>, Art. no. 343, 2020, doi: <a href=\"https://doi.org/10.22331/q-2020-10-15-343\">10.22331/q-2020-10-15-343</a>.","short":"M. Bohmann, E. Agudelo, J. Sperling, Quantum (2020).","chicago":"Bohmann, Martin, Elizabeth Agudelo, and Jan Sperling. “Probing Nonclassicality with Matrices of Phase-Space Distributions.” <i>Quantum</i>, 2020. <a href=\"https://doi.org/10.22331/q-2020-10-15-343\">https://doi.org/10.22331/q-2020-10-15-343</a>.","mla":"Bohmann, Martin, et al. “Probing Nonclassicality with Matrices of Phase-Space Distributions.” <i>Quantum</i>, 343, 2020, doi:<a href=\"https://doi.org/10.22331/q-2020-10-15-343\">10.22331/q-2020-10-15-343</a>.","ama":"Bohmann M, Agudelo E, Sperling J. Probing nonclassicality with matrices of phase-space distributions. <i>Quantum</i>. Published online 2020. doi:<a href=\"https://doi.org/10.22331/q-2020-10-15-343\">10.22331/q-2020-10-15-343</a>","bibtex":"@article{Bohmann_Agudelo_Sperling_2020, title={Probing nonclassicality with matrices of phase-space distributions}, DOI={<a href=\"https://doi.org/10.22331/q-2020-10-15-343\">10.22331/q-2020-10-15-343</a>}, number={343}, journal={Quantum}, author={Bohmann, Martin and Agudelo, Elizabeth and Sperling, Jan}, year={2020} }"},"publication":"Quantum"}]