Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.
author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Dong C-D, Schumacher S. Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C. 2020;8(34):11929-11935. doi:10.1039/d0tc02185g apa: Dong, C.-D., & Schumacher, S. (2020). Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C, 8(34), 11929–11935. https://doi.org/10.1039/d0tc02185g bibtex: '@article{Dong_Schumacher_2020, title={Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}, volume={8}, DOI={10.1039/d0tc02185g}, number={34}, journal={Journal of Materials Chemistry C}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2020}, pages={11929–11935} }' chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C 8, no. 34 (2020): 11929–35. https://doi.org/10.1039/d0tc02185g.' ieee: 'C.-D. Dong and S. Schumacher, “Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding,” Journal of Materials Chemistry C, vol. 8, no. 34, pp. 11929–11935, 2020, doi: 10.1039/d0tc02185g.' mla: Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C, vol. 8, no. 34, Royal Society of Chemistry (RSC), 2020, pp. 11929–35, doi:10.1039/d0tc02185g. short: C.-D. Dong, S. Schumacher, Journal of Materials Chemistry C 8 (2020) 11929–11935. date_created: 2023-01-26T16:01:22Z date_updated: 2023-04-20T15:39:34Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1039/d0tc02185g intvolume: ' 8' issue: '34' keyword: - Materials Chemistry - General Chemistry language: - iso: eng page: 11929-11935 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Journal of Materials Chemistry C publication_identifier: issn: - 2050-7526 - 2050-7534 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding type: journal_article user_id: '16199' volume: 8 year: '2020' ... --- _id: '20582' article_type: original author: - first_name: Bernd full_name: Berger, Bernd last_name: Berger - first_name: Daniel full_name: Schmidt, Daniel last_name: Schmidt - first_name: Xuekai full_name: Ma, Xuekai id: '59416' last_name: Ma - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Christian full_name: Schneider, Christian last_name: Schneider - first_name: Sven full_name: Höfling, Sven last_name: Höfling - first_name: Marc full_name: Assmann, Marc last_name: Assmann citation: ama: Berger B, Schmidt D, Ma X, et al. Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping. Physical Review B. 2020;101(24):245309. doi:10.1103/PhysRevB.101.245309 apa: Berger, B., Schmidt, D., Ma, X., Schumacher, S., Schneider, C., Höfling, S., & Assmann, M. (2020). Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping. Physical Review B, 101(24), 245309. https://doi.org/10.1103/PhysRevB.101.245309 bibtex: '@article{Berger_Schmidt_Ma_Schumacher_Schneider_Höfling_Assmann_2020, title={Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping}, volume={101}, DOI={10.1103/PhysRevB.101.245309}, number={24}, journal={Physical Review B}, publisher={American Physical Society}, author={Berger, Bernd and Schmidt, Daniel and Ma, Xuekai and Schumacher, Stefan and Schneider, Christian and Höfling, Sven and Assmann, Marc}, year={2020}, pages={245309} }' chicago: 'Berger, Bernd, Daniel Schmidt, Xuekai Ma, Stefan Schumacher, Christian Schneider, Sven Höfling, and Marc Assmann. “Formation Dynamics of Exciton-Polariton Vortices Created by Nonresonant Annular Pumping.” Physical Review B 101, no. 24 (2020): 245309. https://doi.org/10.1103/PhysRevB.101.245309.' ieee: 'B. Berger et al., “Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping,” Physical Review B, vol. 101, no. 24, p. 245309, 2020, doi: 10.1103/PhysRevB.101.245309.' mla: Berger, Bernd, et al. “Formation Dynamics of Exciton-Polariton Vortices Created by Nonresonant Annular Pumping.” Physical Review B, vol. 101, no. 24, American Physical Society, 2020, p. 245309, doi:10.1103/PhysRevB.101.245309. short: B. Berger, D. Schmidt, X. Ma, S. Schumacher, C. Schneider, S. Höfling, M. Assmann, Physical Review B 101 (2020) 245309. date_created: 2020-12-02T09:10:54Z date_updated: 2023-04-20T15:40:33Z department: - _id: '170' - _id: '230' - _id: '429' - _id: '15' - _id: '297' - _id: '705' - _id: '35' doi: 10.1103/PhysRevB.101.245309 intvolume: ' 101' issue: '24' language: - iso: eng page: '245309' project: - _id: '53' name: TRR 142 - _id: '54' name: TRR 142 - Project Area A - _id: '61' name: TRR 142 - Subproject A4 publication: Physical Review B publication_status: published publisher: American Physical Society status: public title: Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping type: journal_article user_id: '16199' volume: 101 year: '2020' ... --- _id: '40443' article_number: '012207' author: - first_name: Matthias full_name: Pukrop, Matthias last_name: Pukrop - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Pukrop M, Schumacher S. Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. Physical Review E. 2020;101(1). doi:10.1103/physreve.101.012207 apa: Pukrop, M., & Schumacher, S. (2020). Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. Physical Review E, 101(1), Article 012207. https://doi.org/10.1103/physreve.101.012207 bibtex: '@article{Pukrop_Schumacher_2020, title={Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid}, volume={101}, DOI={10.1103/physreve.101.012207}, number={1012207}, journal={Physical Review E}, publisher={American Physical Society (APS)}, author={Pukrop, Matthias and Schumacher, Stefan}, year={2020} }' chicago: Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid.” Physical Review E 101, no. 1 (2020). https://doi.org/10.1103/physreve.101.012207. ieee: 'M. Pukrop and S. Schumacher, “Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid,” Physical Review E, vol. 101, no. 1, Art. no. 012207, 2020, doi: 10.1103/physreve.101.012207.' mla: Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid.” Physical Review E, vol. 101, no. 1, 012207, American Physical Society (APS), 2020, doi:10.1103/physreve.101.012207. short: M. Pukrop, S. Schumacher, Physical Review E 101 (2020). date_created: 2023-01-26T16:09:04Z date_updated: 2023-04-20T15:40:00Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1103/physreve.101.012207 intvolume: ' 101' issue: '1' language: - iso: eng publication: Physical Review E publication_identifier: issn: - 2470-0045 - 2470-0053 publication_status: published publisher: American Physical Society (APS) status: public title: Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid type: journal_article user_id: '16199' volume: 101 year: '2020' ... --- _id: '19190' abstract: - lang: eng 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." article_number: '043002' article_type: original author: - first_name: Falko full_name: Schmidt, Falko id: '35251' last_name: Schmidt orcid: 0000-0002-5071-5528 - first_name: Agnieszka L. full_name: Kozub, Agnieszka L. id: '77566' last_name: Kozub orcid: https://orcid.org/0000-0001-6584-0201 - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Christof full_name: Eigner, Christof id: '13244' last_name: Eigner orcid: https://orcid.org/0000-0002-5693-3083 - first_name: Christine full_name: Silberhorn, Christine id: '26263' last_name: Silberhorn - first_name: Arno full_name: Schindlmayr, Arno id: '458' last_name: Schindlmayr orcid: 0000-0002-4855-071X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: 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. Physical Review Research. 2020;2(4). doi:10.1103/PhysRevResearch.2.043002' apa: 'Schmidt, F., Kozub, A. L., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., Schmidt, W. G., & Gerstmann, U. (2020). Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. Physical Review Research, 2(4), Article 043002. https://doi.org/10.1103/PhysRevResearch.2.043002' 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={10.1103/PhysRevResearch.2.043002}, 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} }' 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.” Physical Review Research 2, no. 4 (2020). https://doi.org/10.1103/PhysRevResearch.2.043002.' ieee: 'F. Schmidt et al., “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” Physical Review Research, vol. 2, no. 4, Art. no. 043002, 2020, doi: 10.1103/PhysRevResearch.2.043002.' mla: 'Schmidt, Falko, et al. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” Physical Review Research, vol. 2, no. 4, 043002, American Physical Society, 2020, doi:10.1103/PhysRevResearch.2.043002.' short: F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020). date_created: 2020-09-09T09:35:21Z date_updated: 2023-04-20T16:06:21Z ddc: - '530' department: - _id: '296' - _id: '230' - _id: '429' - _id: '295' - _id: '288' - _id: '15' - _id: '170' - _id: '35' - _id: '790' doi: 10.1103/PhysRevResearch.2.043002 external_id: isi: - '000604206300002' file: - access_level: open_access content_type: application/pdf creator: schindlm date_created: 2020-10-02T07:27:38Z date_updated: 2020-10-02T07:37:24Z description: Creative Commons Attribution 4.0 International Public License (CC BY 4.0) file_id: '19843' file_name: PhysRevResearch.2.043002.pdf file_size: 1955183 relation: main_file title: 'Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations' file_date_updated: 2020-10-02T07:37:24Z has_accepted_license: '1' intvolume: ' 2' isi: '1' issue: '4' language: - iso: eng oa: '1' project: - _id: '53' name: TRR 142 - _id: '55' name: TRR 142 - Project Area B - _id: '69' name: TRR 142 - Subproject B4 - _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' publication: Physical Review Research publication_identifier: eissn: - 2643-1564 publication_status: published publisher: American Physical Society quality_controlled: '1' status: public title: 'Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations' type: journal_article user_id: '16199' volume: 2 year: '2020' ... --- _id: '17066' author: - first_name: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak - first_name: Paulina full_name: Powroźnik, Paulina last_name: Powroźnik - first_name: Piotr full_name: Pander, Piotr last_name: Pander - first_name: Wiesław full_name: Jakubik, Wiesław last_name: Jakubik - first_name: Fernando B. full_name: Dias, Fernando B. last_name: Dias - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Maciej full_name: Krzywiecki, Maciej last_name: Krzywiecki citation: 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. The Journal of Physical Chemistry C. 2020;(124):6090-6102. doi:10.1021/acs.jpcc.9b11116' apa: 'Aldahhak, H., Powroźnik, P., Pander, P., Jakubik, W., Dias, F. B., Schmidt, W. G., Gerstmann, U., & Krzywiecki, M. (2020). Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry C, 124, 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116' 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={10.1021/acs.jpcc.9b11116}, 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} }' 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.” The Journal of Physical Chemistry C, no. 124 (2020): 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116.' ieee: 'H. Aldahhak et al., “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures,” The Journal of Physical Chemistry C, no. 124, pp. 6090–6102, 2020, doi: 10.1021/acs.jpcc.9b11116.' mla: 'Aldahhak, Hazem, et al. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry C, no. 124, 2020, pp. 6090–102, doi:10.1021/acs.jpcc.9b11116.' 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. date_created: 2020-05-29T09:51:10Z date_updated: 2023-04-20T16:07:15Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1021/acs.jpcc.9b11116 issue: '124' language: - iso: eng page: 6090-6102 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' publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published status: public title: 'Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures' type: journal_article user_id: '16199' year: '2020' ... --- _id: '17069' author: - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. 2020;2(2). doi:10.1103/physrevresearch.2.022024' apa: 'Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research, 2(2). https://doi.org/10.1103/physrevresearch.2.022024' 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={10.1103/physrevresearch.2.022024}, number={2}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }' 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.” Physical Review Research 2, no. 2 (2020). https://doi.org/10.1103/physrevresearch.2.022024.' 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,” Physical Review Research, vol. 2, no. 2, 2020, doi: 10.1103/physrevresearch.2.022024.' mla: 'Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, vol. 2, no. 2, 2020, doi:10.1103/physrevresearch.2.022024.' short: T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020). date_created: 2020-05-29T09:58:08Z date_updated: 2023-04-20T16:05:57Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1103/physrevresearch.2.022024 intvolume: ' 2' issue: '2' language: - iso: eng 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' publication: Physical Review Research publication_identifier: issn: - 2643-1564 publication_status: published status: public title: 'Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits' type: journal_article user_id: '16199' volume: 2 year: '2020' ... --- _id: '19194' author: - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. Published online 2020. doi:10.1103/physrevresearch.2.022024' apa: 'Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. https://doi.org/10.1103/physrevresearch.2.022024' 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={10.1103/physrevresearch.2.022024}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }' 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.” Physical Review Research, 2020. https://doi.org/10.1103/physrevresearch.2.022024.' 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,” Physical Review Research, 2020, doi: 10.1103/physrevresearch.2.022024.' mla: 'Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, 2020, doi:10.1103/physrevresearch.2.022024.' short: T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research (2020). date_created: 2020-09-09T09:22:14Z date_updated: 2023-04-20T16:08:20Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1103/physrevresearch.2.022024 language: - iso: eng 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' publication: Physical Review Research publication_identifier: issn: - 2643-1564 publication_status: published status: public title: 'Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits' type: journal_article user_id: '16199' year: '2020' ... --- _id: '19193' author: - first_name: Jens full_name: Niederhausen, Jens last_name: Niederhausen - first_name: Rowan W. full_name: MacQueen, Rowan W. last_name: MacQueen - first_name: Klaus full_name: Lips, Klaus last_name: Lips - first_name: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: Niederhausen J, MacQueen RW, Lips K, Aldahhak H, Schmidt WG, Gerstmann U. Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. Langmuir. Published online 2020:9099-9113. doi:10.1021/acs.langmuir.0c01154 apa: Niederhausen, J., MacQueen, R. W., Lips, K., Aldahhak, H., Schmidt, W. G., & Gerstmann, U. (2020). Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. Langmuir, 9099–9113. https://doi.org/10.1021/acs.langmuir.0c01154 bibtex: '@article{Niederhausen_MacQueen_Lips_Aldahhak_Schmidt_Gerstmann_2020, title={Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}, DOI={10.1021/acs.langmuir.0c01154}, 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} }' chicago: Niederhausen, Jens, Rowan W. MacQueen, Klaus Lips, Hazem Aldahhak, Wolf Gero Schmidt, and Uwe Gerstmann. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” Langmuir, 2020, 9099–9113. https://doi.org/10.1021/acs.langmuir.0c01154. ieee: 'J. Niederhausen, R. W. MacQueen, K. Lips, H. Aldahhak, W. G. Schmidt, and U. Gerstmann, “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon,” Langmuir, pp. 9099–9113, 2020, doi: 10.1021/acs.langmuir.0c01154.' mla: Niederhausen, Jens, et al. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” Langmuir, 2020, pp. 9099–113, doi:10.1021/acs.langmuir.0c01154. short: J. Niederhausen, R.W. MacQueen, K. Lips, H. Aldahhak, W.G. Schmidt, U. Gerstmann, Langmuir (2020) 9099–9113. date_created: 2020-09-09T09:18:57Z date_updated: 2023-04-20T16:08:01Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1021/acs.langmuir.0c01154 language: - iso: eng page: 9099-9113 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' publication: Langmuir publication_identifier: issn: - 0743-7463 - 1520-5827 publication_status: published status: public title: Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon type: journal_article user_id: '16199' year: '2020' ... --- _id: '19654' author: - first_name: Marvin full_name: Krenz, Marvin id: '52309' last_name: Krenz - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Krenz M, Gerstmann U, Schmidt WG. Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. ACS Omega. Published online 2020:24057-24063. doi:10.1021/acsomega.0c03483 apa: Krenz, M., Gerstmann, U., & Schmidt, W. G. (2020). Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. ACS Omega, 24057–24063. https://doi.org/10.1021/acsomega.0c03483 bibtex: '@article{Krenz_Gerstmann_Schmidt_2020, title={Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}, DOI={10.1021/acsomega.0c03483}, journal={ACS Omega}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2020}, pages={24057–24063} }' chicago: Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” ACS Omega, 2020, 24057–63. https://doi.org/10.1021/acsomega.0c03483. ieee: 'M. Krenz, U. Gerstmann, and W. G. Schmidt, “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory,” ACS Omega, pp. 24057–24063, 2020, doi: 10.1021/acsomega.0c03483.' mla: Krenz, Marvin, et al. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” ACS Omega, 2020, pp. 24057–63, doi:10.1021/acsomega.0c03483. short: M. Krenz, U. Gerstmann, W.G. Schmidt, ACS Omega (2020) 24057–24063. date_created: 2020-09-24T11:10:47Z date_updated: 2023-04-20T16:06:43Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1021/acsomega.0c03483 language: - iso: eng page: 24057-24063 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' publication: ACS Omega publication_identifier: issn: - 2470-1343 - 2470-1343 publication_status: published status: public title: Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory type: journal_article user_id: '16199' year: '2020' ... --- _id: '22883' article_number: '082005' author: - first_name: R full_name: Zuo, R last_name: Zuo - first_name: X full_name: Song, X last_name: Song - first_name: Torsten full_name: Meier, Torsten id: '344' last_name: Meier orcid: 0000-0001-8864-2072 - first_name: W full_name: Yang, W last_name: Yang citation: ama: 'Zuo R, Song X, Meier T, Yang W. Carrier-wave population transfer in semiconductors. Journal of Physics: Conference Series. 2020;1412(8). doi:10.1088/1742-6596/1412/8/082005' apa: 'Zuo, R., Song, X., Meier, T., & Yang, W. (2020). Carrier-wave population transfer in semiconductors. Journal of Physics: Conference Series, 1412(8), Article 082005. https://doi.org/10.1088/1742-6596/1412/8/082005' bibtex: '@article{Zuo_Song_Meier_Yang_2020, title={Carrier-wave population transfer in semiconductors}, volume={1412}, DOI={10.1088/1742-6596/1412/8/082005}, number={8082005}, journal={Journal of Physics: Conference Series}, author={Zuo, R and Song, X and Meier, Torsten and Yang, W}, year={2020} }' chicago: 'Zuo, R, X Song, Torsten Meier, and W Yang. “Carrier-Wave Population Transfer in Semiconductors.” Journal of Physics: Conference Series 1412, no. 8 (2020). https://doi.org/10.1088/1742-6596/1412/8/082005.' ieee: 'R. Zuo, X. Song, T. Meier, and W. Yang, “Carrier-wave population transfer in semiconductors,” Journal of Physics: Conference Series, vol. 1412, no. 8, Art. no. 082005, 2020, doi: 10.1088/1742-6596/1412/8/082005.' mla: 'Zuo, R., et al. “Carrier-Wave Population Transfer in Semiconductors.” Journal of Physics: Conference Series, vol. 1412, no. 8, 082005, 2020, doi:10.1088/1742-6596/1412/8/082005.' short: 'R. Zuo, X. Song, T. Meier, W. Yang, Journal of Physics: Conference Series 1412 (2020).' date_created: 2021-07-29T08:04:10Z date_updated: 2023-04-21T11:24:48Z department: - _id: '15' - _id: '170' - _id: '293' - _id: '230' - _id: '35' doi: 10.1088/1742-6596/1412/8/082005 intvolume: ' 1412' issue: '8' language: - iso: eng 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' publication: 'Journal of Physics: Conference Series' publication_identifier: issn: - 1742-6588 - 1742-6596 publication_status: published status: public title: Carrier-wave population transfer in semiconductors type: journal_article user_id: '16199' volume: 1412 year: '2020' ... --- _id: '20680' author: - first_name: Fabian full_name: Kappe, Fabian id: '66459' last_name: Kappe - first_name: Simon full_name: Wituschek, Simon last_name: Wituschek - first_name: Michael full_name: Lechner, Michael last_name: Lechner - first_name: Mathias full_name: Bobbert, Mathias id: '7850' last_name: Bobbert - first_name: Gerson full_name: Meschut, Gerson id: '32056' last_name: Meschut orcid: 0000-0002-2763-1246 - first_name: Marion full_name: Merklein, Marion last_name: Merklein citation: ama: 'Kappe F, Wituschek S, Lechner M, Bobbert M, Meschut G, Merklein M. Investigation of influencing parameters on the joint formation of the self-piercing riveting process. In: ; 2020.' apa: Kappe, F., Wituschek, S., Lechner, M., Bobbert, M., Meschut, G., & Merklein, M. (2020). Investigation of influencing parameters on the joint formation of the self-piercing riveting process. Material Science and Engineering Congress - MSE 2020, Darmstadt . bibtex: '@inproceedings{Kappe_Wituschek_Lechner_Bobbert_Meschut_Merklein_2020, title={Investigation of influencing parameters on the joint formation of the self-piercing riveting process}, author={Kappe, Fabian and Wituschek, Simon and Lechner, Michael and Bobbert, Mathias and Meschut, Gerson and Merklein, Marion}, year={2020} }' chicago: Kappe, Fabian, Simon Wituschek, Michael Lechner, Mathias Bobbert, Gerson Meschut, and Marion Merklein. “Investigation of Influencing Parameters on the Joint Formation of the Self-Piercing Riveting Process,” 2020. ieee: F. Kappe, S. Wituschek, M. Lechner, M. Bobbert, G. Meschut, and M. Merklein, “Investigation of influencing parameters on the joint formation of the self-piercing riveting process,” presented at the Material Science and Engineering Congress - MSE 2020, Darmstadt , 2020. mla: Kappe, Fabian, et al. Investigation of Influencing Parameters on the Joint Formation of the Self-Piercing Riveting Process. 2020. short: 'F. Kappe, S. Wituschek, M. Lechner, M. Bobbert, G. Meschut, M. Merklein, in: 2020.' conference: end_date: 2020-09-25 location: 'Darmstadt ' name: Material Science and Engineering Congress - MSE 2020 start_date: 2020-09-22 date_created: 2020-12-07T08:11:08Z date_updated: 2023-04-27T08:56:25Z department: - _id: '157' language: - iso: eng project: - _id: '130' grant_number: '418701707' name: 'TRR 285: TRR 285' - _id: '133' name: 'TRR 285 - C: TRR 285 - Project Area C' - _id: '146' name: 'TRR 285 – C02: TRR 285 - Subproject C02' status: public title: Investigation of influencing parameters on the joint formation of the self-piercing riveting process type: conference user_id: '66459' year: '2020' ... --- _id: '41432' author: - first_name: Christian full_name: Fuchs, Christian id: '21863' last_name: Fuchs orcid: 0000-0003-0589-4579 citation: ama: 'Fuchs C. Communicative Socialism/Digital Socialism. tripleC: Communication, Capitalism & Critique. 2020;18(1):1-285. doi:https://doi.org/10.31269/triplec.v18i1.1149' apa: 'Fuchs, C. (2020). Communicative Socialism/Digital Socialism. TripleC: Communication, Capitalism & Critique, 18(1), 1–285. https://doi.org/10.31269/triplec.v18i1.1149' bibtex: '@article{Fuchs_2020, title={Communicative Socialism/Digital Socialism}, volume={18}, DOI={https://doi.org/10.31269/triplec.v18i1.1149}, number={1}, journal={tripleC: Communication, Capitalism & Critique}, author={Fuchs, Christian}, year={2020}, pages={1–285} }' chicago: 'Fuchs, Christian. “Communicative Socialism/Digital Socialism.” TripleC: Communication, Capitalism & Critique 18, no. 1 (2020): 1–285. https://doi.org/10.31269/triplec.v18i1.1149.' ieee: 'C. Fuchs, “Communicative Socialism/Digital Socialism,” tripleC: Communication, Capitalism & Critique, vol. 18, no. 1, pp. 1–285, 2020, doi: https://doi.org/10.31269/triplec.v18i1.1149.' mla: 'Fuchs, Christian. “Communicative Socialism/Digital Socialism.” TripleC: Communication, Capitalism & Critique, vol. 18, no. 1, 2020, pp. 1–285, doi:https://doi.org/10.31269/triplec.v18i1.1149.' short: 'C. Fuchs, TripleC: Communication, Capitalism & Critique 18 (2020) 1–285.' date_created: 2023-02-02T03:34:42Z date_updated: 2023-03-08T02:08:57Z department: - _id: '136' doi: https://doi.org/10.31269/triplec.v18i1.1149 extern: '1' intvolume: ' 18' issue: '1' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.31269/triplec.v18i1.1149 oa: '1' page: 1-285 publication: 'tripleC: Communication, Capitalism & Critique' status: public title: Communicative Socialism/Digital Socialism type: journal_article user_id: '49063' volume: 18 year: '2020' ... --- _id: '42370' author: - first_name: Christian full_name: Fuchs, Christian id: '21863' last_name: Fuchs orcid: 0000-0003-0589-4579 citation: ama: 'Fuchs C. 罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism). In: 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020). Shanghai People’s Publishing House; 2020.' apa: Fuchs C. (2020). 罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism). In 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020). Shanghai People’s Publishing House. bibtex: '@inbook{Fuchs_2020, place={Shanghai}, title={罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism)}, booktitle={世界社会主义研究年鉴 (World Socialism Research Yearbook 2020)}, publisher={Shanghai People’s Publishing House}, author={Fuchs Christian}, year={2020} }' chicago: 'Fuchs Christian. “罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism).” In 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020). Shanghai: Shanghai People’s Publishing House, 2020.' ieee: 'Fuchs C., “罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism),” in 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020), Shanghai: Shanghai People’s Publishing House, 2020.' mla: Fuchs Christian. “罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism).” 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020), Shanghai People’s Publishing House, 2020. short: 'Fuchs C., in: 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020), Shanghai People’s Publishing House, Shanghai, 2020.' date_created: 2023-02-23T19:35:37Z date_updated: 2023-03-08T03:43:05Z department: - _id: '136' extern: '1' language: - iso: chi place: Shanghai publication: 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020) publisher: Shanghai People’s Publishing House status: public title: 罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism) type: book_chapter user_id: '49063' year: '2020' ... --- _id: '42369' author: - first_name: Christian full_name: Fuchs, Christian id: '21863' last_name: Fuchs orcid: 0000-0003-0589-4579 citation: ama: Fuchs C. 罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism. 国外理论动态（Foreign Theoretical Trends) 2020 (4). Published online 2020:9-18. apa: Fuchs C. (2020). 罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism. 国外理论动态（Foreign Theoretical Trends) 2020 (4), 9–18. bibtex: '@article{Fuchs_2020, title={罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism}, journal={国外理论动态（Foreign Theoretical Trends) 2020 (4)}, author={Fuchs Christian}, year={2020}, pages={9–18} }' chicago: Fuchs Christian. “罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism.” 国外理论动态（Foreign Theoretical Trends) 2020 (4), 2020, 9–18. ieee: Fuchs C., “罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism,” 国外理论动态（Foreign Theoretical Trends) 2020 (4), pp. 9–18, 2020. mla: Fuchs Christian. “罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism.” 国外理论动态（Foreign Theoretical Trends) 2020 (4), 2020, pp. 9–18. short: Fuchs C., 国外理论动态（Foreign Theoretical Trends) 2020 (4) (2020) 9–18. date_created: 2023-02-23T19:31:04Z date_updated: 2023-03-08T03:43:15Z department: - _id: '136' extern: '1' language: - iso: chi page: 9-18 publication: 国外理论动态（Foreign Theoretical Trends) 2020 (4) status: public title: 罗铮 译.“大数据资本主义时代的马克思（Karl Marx in the Age of Big Data Capitalism type: journal_article user_id: '49063' year: '2020' ... --- _id: '42485' author: - first_name: Christian full_name: Fuchs, Christian id: '21863' last_name: Fuchs orcid: 0000-0003-0589-4579 citation: ama: 'Fuchs C. Preface to Manfred Knoche’s Article “Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique.” tripleC: Communication, Capitalism & Critique. 2020;18(2):508-509. doi:https://doi.org/10.31269/triplec.v18i2.1183' apa: 'Fuchs, C. (2020). Preface to Manfred Knoche’s Article “Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique.” TripleC: Communication, Capitalism & Critique, 18(2), 508–509. https://doi.org/10.31269/triplec.v18i2.1183' bibtex: '@article{Fuchs_2020, title={Preface to Manfred Knoche’s Article “Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique”}, volume={18}, DOI={https://doi.org/10.31269/triplec.v18i2.1183}, number={2}, journal={tripleC: Communication, Capitalism & Critique}, author={Fuchs, Christian}, year={2020}, pages={508–509} }' chicago: 'Fuchs, Christian. “Preface to Manfred Knoche’s Article ‘Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique.’” TripleC: Communication, Capitalism & Critique 18, no. 2 (2020): 508–9. https://doi.org/10.31269/triplec.v18i2.1183.' ieee: 'C. Fuchs, “Preface to Manfred Knoche’s Article ‘Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique,’” tripleC: Communication, Capitalism & Critique, vol. 18, no. 2, pp. 508–509, 2020, doi: https://doi.org/10.31269/triplec.v18i2.1183.' mla: 'Fuchs, Christian. “Preface to Manfred Knoche’s Article ‘Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique.’” TripleC: Communication, Capitalism & Critique, vol. 18, no. 2, 2020, pp. 508–09, doi:https://doi.org/10.31269/triplec.v18i2.1183.' short: 'C. Fuchs, TripleC: Communication, Capitalism & Critique 18 (2020) 508–509.' date_created: 2023-02-25T00:30:57Z date_updated: 2023-03-08T04:15:52Z department: - _id: '136' doi: https://doi.org/10.31269/triplec.v18i2.1183 extern: '1' intvolume: ' 18' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.31269/triplec.v18i2.1183 oa: '1' page: 508-509 publication: 'tripleC: Communication, Capitalism & Critique' status: public title: 'Preface to Manfred Knoche’s Article “Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique”' type: journal_article user_id: '49063' volume: 18 year: '2020' ... --- _id: '25903' 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. article_type: original author: - first_name: Alesja full_name: Ivanova, Alesja last_name: Ivanova - first_name: Bruno full_name: Frka-Petesic, Bruno last_name: Frka-Petesic - first_name: Andrej full_name: Paul, Andrej last_name: Paul - first_name: Thorsten full_name: Wagner, Thorsten last_name: Wagner - first_name: Askhat N. full_name: Jumabekov, Askhat N. last_name: Jumabekov - first_name: Yury full_name: Vilk, Yury last_name: Vilk - first_name: Johannes full_name: Weber, Johannes last_name: Weber - first_name: Jörn full_name: Schmedt auf der Günne, Jörn last_name: Schmedt auf der Günne - first_name: Silvia full_name: Vignolini, Silvia last_name: Vignolini - first_name: Michael full_name: Tiemann, Michael id: '23547' last_name: Tiemann orcid: 0000-0003-1711-2722 - first_name: Dina full_name: Fattakhova-Rohlfing, Dina last_name: Fattakhova-Rohlfing - first_name: Thomas full_name: Bein, Thomas last_name: Bein citation: ama: Ivanova A, Frka-Petesic B, Paul A, et al. Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing. ACS Applied Materials & Interfaces. Published online 2020:12639-12647. doi:10.1021/acsami.9b11891 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., & Bein, T. (2020). Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing. ACS Applied Materials & Interfaces, 12639–12647. https://doi.org/10.1021/acsami.9b11891 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={10.1021/acsami.9b11891}, journal={ACS Applied Materials & 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} }' 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.” ACS Applied Materials & Interfaces, 2020, 12639–47. https://doi.org/10.1021/acsami.9b11891. ieee: 'A. Ivanova et al., “Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing,” ACS Applied Materials & Interfaces, pp. 12639–12647, 2020, doi: 10.1021/acsami.9b11891.' mla: Ivanova, Alesja, et al. “Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing.” ACS Applied Materials & Interfaces, 2020, pp. 12639–47, doi:10.1021/acsami.9b11891. 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 & Interfaces (2020) 12639–12647. date_created: 2021-10-08T10:39:27Z date_updated: 2023-03-08T08:23:16Z department: - _id: '35' - _id: '2' - _id: '307' doi: 10.1021/acsami.9b11891 language: - iso: eng page: 12639-12647 publication: ACS Applied Materials & Interfaces publication_identifier: issn: - 1944-8244 - 1944-8252 publication_status: published quality_controlled: '1' status: public title: Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing type: journal_article user_id: '23547' year: '2020' ... --- _id: '23854' abstract: - lang: eng 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. article_number: '445601' article_type: original author: - first_name: Zimei full_name: Chen, Zimei last_name: Chen - first_name: Dirk full_name: Kuckling, Dirk id: '287' last_name: Kuckling - first_name: Michael full_name: Tiemann, Michael id: '23547' last_name: Tiemann orcid: 0000-0003-1711-2722 citation: ama: Chen Z, Kuckling D, Tiemann M. Nanoporous aluminum oxide micropatterns prepared by hydrogel templating. Nanotechnology. 2020;31. doi:10.1088/1361-6528/aba710 apa: Chen, Z., Kuckling, D., & Tiemann, M. (2020). Nanoporous aluminum oxide micropatterns prepared by hydrogel templating. Nanotechnology, 31, Article 445601. https://doi.org/10.1088/1361-6528/aba710 bibtex: '@article{Chen_Kuckling_Tiemann_2020, title={Nanoporous aluminum oxide micropatterns prepared by hydrogel templating}, volume={31}, DOI={10.1088/1361-6528/aba710}, number={445601}, journal={Nanotechnology}, publisher={IOP Publishing}, author={Chen, Zimei and Kuckling, Dirk and Tiemann, Michael}, year={2020} }' chicago: Chen, Zimei, Dirk Kuckling, and Michael Tiemann. “Nanoporous Aluminum Oxide Micropatterns Prepared by Hydrogel Templating.” Nanotechnology 31 (2020). https://doi.org/10.1088/1361-6528/aba710. ieee: 'Z. Chen, D. Kuckling, and M. Tiemann, “Nanoporous aluminum oxide micropatterns prepared by hydrogel templating,” Nanotechnology, vol. 31, Art. no. 445601, 2020, doi: 10.1088/1361-6528/aba710.' mla: Chen, Zimei, et al. “Nanoporous Aluminum Oxide Micropatterns Prepared by Hydrogel Templating.” Nanotechnology, vol. 31, 445601, IOP Publishing, 2020, doi:10.1088/1361-6528/aba710. short: Z. Chen, D. Kuckling, M. Tiemann, Nanotechnology 31 (2020). date_created: 2021-09-07T10:23:25Z date_updated: 2023-03-08T08:26:12Z department: - _id: '311' - _id: '35' - _id: '307' - _id: '2' doi: 10.1088/1361-6528/aba710 intvolume: ' 31' language: - iso: eng main_file_link: - open_access: '1' url: https://iopscience.iop.org/article/10.1088/1361-6528/aba710/pdf oa: '1' publication: Nanotechnology publication_identifier: issn: - 0957-4484 - 1361-6528 publication_status: published publisher: IOP Publishing quality_controlled: '1' status: public title: Nanoporous aluminum oxide micropatterns prepared by hydrogel templating type: journal_article user_id: '23547' volume: 31 year: '2020' ... --- _id: '25898' abstract: - lang: eng 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. article_type: original author: - first_name: Xuyang full_name: Zhang, Xuyang last_name: Zhang - first_name: Christian full_name: Weinberger, Christian id: '11848' last_name: Weinberger - first_name: Sabrina full_name: Amrehn, Sabrina last_name: Amrehn - first_name: Xia full_name: Wu, Xia last_name: Wu - first_name: Michael full_name: Tiemann, Michael id: '23547' last_name: Tiemann orcid: 0000-0003-1711-2722 - first_name: Thorsten full_name: Wagner, Thorsten last_name: Wagner citation: 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. European Journal of Inorganic Chemistry. Published online 2020:3402-3407. doi:10.1002/ejic.202000517 apa: Zhang, X., Weinberger, C., Amrehn, S., Wu, X., Tiemann, M., & Wagner, T. (2020). Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating. European Journal of Inorganic Chemistry, 3402–3407. https://doi.org/10.1002/ejic.202000517 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={10.1002/ejic.202000517}, 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} }' 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.” European Journal of Inorganic Chemistry, 2020, 3402–7. https://doi.org/10.1002/ejic.202000517. 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,” European Journal of Inorganic Chemistry, pp. 3402–3407, 2020, doi: 10.1002/ejic.202000517.' mla: Zhang, Xuyang, et al. “Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating.” European Journal of Inorganic Chemistry, 2020, pp. 3402–07, doi:10.1002/ejic.202000517. short: X. Zhang, C. Weinberger, S. Amrehn, X. Wu, M. Tiemann, T. Wagner, European Journal of Inorganic Chemistry (2020) 3402–3407. date_created: 2021-10-08T10:32:08Z date_updated: 2023-03-08T08:24:24Z department: - _id: '35' - _id: '2' - _id: '307' doi: 10.1002/ejic.202000517 language: - iso: eng main_file_link: - open_access: '1' url: https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.202000517 oa: '1' page: 3402-3407 publication: European Journal of Inorganic Chemistry publication_identifier: issn: - 1434-1948 - 1099-0682 publication_status: published quality_controlled: '1' status: public title: Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating type: journal_article user_id: '23547' year: '2020' ... --- _id: '25900' 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. article_type: original author: - first_name: Ali full_name: Javed, Ali last_name: Javed - first_name: Thorsten full_name: Wagner, Thorsten last_name: Wagner - first_name: Stephan full_name: Wöhlbrandt, Stephan last_name: Wöhlbrandt - first_name: Norbert full_name: Stock, Norbert last_name: Stock - first_name: Michael full_name: Tiemann, Michael id: '23547' last_name: Tiemann orcid: 0000-0003-1711-2722 citation: 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. ChemPhysChem. Published online 2020:605-609. doi:10.1002/cphc.202000102' apa: 'Javed, A., Wagner, T., Wöhlbrandt, S., Stock, N., & Tiemann, M. (2020). Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight. ChemPhysChem, 605–609. https://doi.org/10.1002/cphc.202000102' 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={10.1002/cphc.202000102}, journal={ChemPhysChem}, author={Javed, Ali and Wagner, Thorsten and Wöhlbrandt, Stephan and Stock, Norbert and Tiemann, Michael}, year={2020}, pages={605–609} }' 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.” ChemPhysChem, 2020, 605–9. https://doi.org/10.1002/cphc.202000102.' 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,” ChemPhysChem, pp. 605–609, 2020, doi: 10.1002/cphc.202000102.' mla: 'Javed, Ali, et al. “Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight.” ChemPhysChem, 2020, pp. 605–09, doi:10.1002/cphc.202000102.' short: A. Javed, T. Wagner, S. Wöhlbrandt, N. Stock, M. Tiemann, ChemPhysChem (2020) 605–609. date_created: 2021-10-08T10:35:08Z date_updated: 2023-03-08T08:25:21Z department: - _id: '35' - _id: '2' - _id: '307' doi: 10.1002/cphc.202000102 language: - iso: eng main_file_link: - open_access: '1' url: https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202000102 oa: '1' page: 605-609 publication: ChemPhysChem publication_identifier: issn: - 1439-4235 - 1439-7641 publication_status: published quality_controlled: '1' status: public title: 'Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight' type: journal_article user_id: '23547' year: '2020' ... --- _id: '25902' abstract: - lang: eng text: This Special Issue on “Functional Nanoporous Materials” in the MDPI journal nanomaterials features seven original papers ... article_number: '699' article_type: original author: - first_name: Christian full_name: Weinberger, Christian id: '11848' last_name: Weinberger - first_name: Michael full_name: Tiemann, Michael id: '23547' last_name: Tiemann orcid: 0000-0003-1711-2722 citation: ama: Weinberger C, Tiemann M. Functional Nanoporous Materials. Nanomaterials. Published online 2020. doi:10.3390/nano10040699 apa: Weinberger, C., & Tiemann, M. (2020). Functional Nanoporous Materials. Nanomaterials, Article 699. https://doi.org/10.3390/nano10040699 bibtex: '@article{Weinberger_Tiemann_2020, title={Functional Nanoporous Materials}, DOI={10.3390/nano10040699}, number={699}, journal={Nanomaterials}, author={Weinberger, Christian and Tiemann, Michael}, year={2020} }' chicago: Weinberger, Christian, and Michael Tiemann. “Functional Nanoporous Materials.” Nanomaterials, 2020. https://doi.org/10.3390/nano10040699. ieee: 'C. Weinberger and M. Tiemann, “Functional Nanoporous Materials,” Nanomaterials, Art. no. 699, 2020, doi: 10.3390/nano10040699.' mla: Weinberger, Christian, and Michael Tiemann. “Functional Nanoporous Materials.” Nanomaterials, 699, 2020, doi:10.3390/nano10040699. short: C. Weinberger, M. Tiemann, Nanomaterials (2020). date_created: 2021-10-08T10:37:54Z date_updated: 2023-03-08T08:27:09Z department: - _id: '2' - _id: '307' - _id: '35' doi: 10.3390/nano10040699 language: - iso: eng main_file_link: - open_access: '1' url: https://www.mdpi.com/2079-4991/10/4/699/pdf?version=1586249724 oa: '1' publication: Nanomaterials publication_identifier: issn: - 2079-4991 publication_status: published status: public title: Functional Nanoporous Materials type: journal_article user_id: '23547' year: '2020' ...