--- _id: '25301' article_number: '106786' author: - first_name: Beate full_name: Scherer, Beate last_name: Scherer - first_name: Ingo Leonard full_name: Kottenstedde, Ingo Leonard last_name: Kottenstedde - first_name: Wolfgang full_name: Bremser, Wolfgang id: '32' last_name: Bremser - first_name: Frank-Michael full_name: Matysik, Frank-Michael last_name: Matysik citation: ama: 'Scherer B, Kottenstedde IL, Bremser W, Matysik F-M. Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations. Polymer Testing. Published online 2020. doi:10.1016/j.polymertesting.2020.106786' apa: 'Scherer, B., Kottenstedde, I. L., Bremser, W., & Matysik, F.-M. (2020). Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations. Polymer Testing, Article 106786. https://doi.org/10.1016/j.polymertesting.2020.106786' bibtex: '@article{Scherer_Kottenstedde_Bremser_Matysik_2020, title={Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations}, DOI={10.1016/j.polymertesting.2020.106786}, number={106786}, journal={Polymer Testing}, author={Scherer, Beate and Kottenstedde, Ingo Leonard and Bremser, Wolfgang and Matysik, Frank-Michael}, year={2020} }' chicago: 'Scherer, Beate, Ingo Leonard Kottenstedde, Wolfgang Bremser, and Frank-Michael Matysik. “Analytical Characterization of Polyamide 11 Used in the Context of Selective Laser Sintering: Physico-Chemical Correlations.” Polymer Testing, 2020. https://doi.org/10.1016/j.polymertesting.2020.106786.' ieee: 'B. Scherer, I. L. Kottenstedde, W. Bremser, and F.-M. Matysik, “Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations,” Polymer Testing, Art. no. 106786, 2020, doi: 10.1016/j.polymertesting.2020.106786.' mla: 'Scherer, Beate, et al. “Analytical Characterization of Polyamide 11 Used in the Context of Selective Laser Sintering: Physico-Chemical Correlations.” Polymer Testing, 106786, 2020, doi:10.1016/j.polymertesting.2020.106786.' short: B. Scherer, I.L. Kottenstedde, W. Bremser, F.-M. Matysik, Polymer Testing (2020). date_created: 2021-10-04T13:18:54Z date_updated: 2022-01-06T06:57:00Z department: - _id: '321' - _id: '301' doi: 10.1016/j.polymertesting.2020.106786 language: - iso: eng publication: Polymer Testing publication_identifier: issn: - 0142-9418 publication_status: published status: public title: 'Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations' type: journal_article user_id: '32' year: '2020' ... --- _id: '19679' abstract: - lang: eng text: In the present work, we provide an electronic structure based method for the “on-the-fly” determination of vibrational sum frequency generation (v-SFG) spectra. The predictive power of this scheme is demonstrated at the air-water interface. While the instantaneous fluctuations in dipole moment are obtained using the maximally localized Wannier functions, the fluctuations in polarizability are approximated to be proportional to the second moment of Wannier functions. The spectrum henceforth obtained captures the signatures of hydrogen bond stretching, bending, as well as low-frequency librational modes. article_number: '3939' author: - first_name: Deepak full_name: Ojha, Deepak last_name: Ojha - first_name: Thomas D. full_name: Kühne, Thomas D. last_name: Kühne citation: ama: Ojha D, Kühne TD. “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules. 2020;25. doi:10.3390/molecules25173939 apa: Ojha, D., & Kühne, T. D. (2020). “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules, 25. https://doi.org/10.3390/molecules25173939 bibtex: '@article{Ojha_Kühne_2020, title={“On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface}, volume={25}, DOI={10.3390/molecules25173939}, number={3939}, journal={Molecules}, author={Ojha, Deepak and Kühne, Thomas D.}, year={2020} }' chicago: Ojha, Deepak, and Thomas D. Kühne. “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.” Molecules 25 (2020). https://doi.org/10.3390/molecules25173939. ieee: D. Ojha and T. D. Kühne, “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface,” Molecules, vol. 25, 2020. mla: Ojha, Deepak, and Thomas D. Kühne. “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.” Molecules, vol. 25, 3939, 2020, doi:10.3390/molecules25173939. short: D. Ojha, T.D. Kühne, Molecules 25 (2020). date_created: 2020-09-25T08:34:34Z date_updated: 2022-01-06T06:54:09Z department: - _id: '304' doi: 10.3390/molecules25173939 intvolume: ' 25' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Molecules publication_identifier: issn: - 1420-3049 publication_status: published status: public title: “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface type: journal_article user_id: '71692' volume: 25 year: '2020' ... --- _id: '19680' abstract: - lang: eng text: This is the second part of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures, aiming at a predictive first-principles platform that combines ab-initio molecular dynamics (AIMD) and a finite-temperature Kubo-formula with dissipation for thermally disordered crystalline phases. The latter are encoded in an ergodic dynamical system (Ω,G,dP), where Ω is the configuration space of the atomic degrees of freedom, G is the space group acting on Ω and dP is the ergodic Gibbs measure relative to the G-action. We first demonstrate how to pass from the continuum Kohn–Sham theory to a discrete atomic-orbitals based formalism without breaking the covariance of the physical observables w.r.t. (Ω,G,dP). Then we show how to implement the Kubo-formula, investigate its self-averaging property and derive an optimal finite-volume approximation for it. We also describe a numerical innovation that made possible AIMD simulations with longer orbits and elaborate on the details of our simulations. Lastly, we present numerical results on the transport coefficients of crystal silicon at different temperatures. author: - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Julian Joachim full_name: Heske, Julian Joachim id: '53238' last_name: Heske - first_name: Emil full_name: Prodan, Emil last_name: Prodan citation: ama: 'Kühne T, Heske JJ, Prodan E. Disordered crystals from first principles II: Transport coefficients. Annals of Physics. 2020;421:168290. doi:https://doi.org/10.1016/j.aop.2020.168290' apa: 'Kühne, T., Heske, J. J., & Prodan, E. (2020). Disordered crystals from first principles II: Transport coefficients. Annals of Physics, 421, 168290. https://doi.org/10.1016/j.aop.2020.168290' bibtex: '@article{Kühne_Heske_Prodan_2020, title={Disordered crystals from first principles II: Transport coefficients}, volume={421}, DOI={https://doi.org/10.1016/j.aop.2020.168290}, journal={Annals of Physics}, author={Kühne, Thomas and Heske, Julian Joachim and Prodan, Emil}, year={2020}, pages={168290} }' chicago: 'Kühne, Thomas, Julian Joachim Heske, and Emil Prodan. “Disordered Crystals from First Principles II: Transport Coefficients.” Annals of Physics 421 (2020): 168290. https://doi.org/10.1016/j.aop.2020.168290.' ieee: 'T. Kühne, J. J. Heske, and E. Prodan, “Disordered crystals from first principles II: Transport coefficients,” Annals of Physics, vol. 421, p. 168290, 2020.' mla: 'Kühne, Thomas, et al. “Disordered Crystals from First Principles II: Transport Coefficients.” Annals of Physics, vol. 421, 2020, p. 168290, doi:https://doi.org/10.1016/j.aop.2020.168290.' short: T. Kühne, J.J. Heske, E. Prodan, Annals of Physics 421 (2020) 168290. date_created: 2020-09-25T08:38:00Z date_updated: 2022-01-06T06:54:10Z department: - _id: '304' doi: https://doi.org/10.1016/j.aop.2020.168290 intvolume: ' 421' language: - iso: eng page: '168290' project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Annals of Physics publication_identifier: issn: - 0003-4916 status: public title: 'Disordered crystals from first principles II: Transport coefficients' type: journal_article user_id: '71692' volume: 421 year: '2020' ... --- _id: '19681' author: - first_name: M. Alaraby full_name: Salem, M. Alaraby last_name: Salem - first_name: Thomas D. full_name: Kühne, Thomas D. last_name: Kühne citation: ama: Salem MA, Kühne TD. Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis. Molecular Physics. 2020:1-6. doi:10.1080/00268976.2020.1797920 apa: Salem, M. A., & Kühne, T. D. (2020). Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis. Molecular Physics, 1–6. https://doi.org/10.1080/00268976.2020.1797920 bibtex: '@article{Salem_Kühne_2020, title={Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis}, DOI={10.1080/00268976.2020.1797920}, journal={Molecular Physics}, author={Salem, M. Alaraby and Kühne, Thomas D.}, year={2020}, pages={1–6} }' chicago: Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.” Molecular Physics, 2020, 1–6. https://doi.org/10.1080/00268976.2020.1797920. ieee: M. A. Salem and T. D. Kühne, “Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis,” Molecular Physics, pp. 1–6, 2020. mla: Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.” Molecular Physics, 2020, pp. 1–6, doi:10.1080/00268976.2020.1797920. short: M.A. Salem, T.D. Kühne, Molecular Physics (2020) 1–6. date_created: 2020-09-25T08:40:24Z date_updated: 2022-01-06T06:54:10Z department: - _id: '304' doi: 10.1080/00268976.2020.1797920 language: - iso: eng page: 1-6 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Molecular Physics publication_identifier: issn: - 0026-8976 - 1362-3028 publication_status: published status: public title: Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis type: journal_article user_id: '71692' year: '2020' ... --- _id: '19823' abstract: - lang: eng text: 'Individual grains of chalcopyrite solar cell absorbers can facet in different crystallographic directions at their surfaces. To gain a deeper understanding of the junction formation in these devices, we correlate variations in the surface facet orientation with the defect electronic properties. We use a combined analytical approach based on scanning tunneling spectroscopy (STS), scanning electron microscopy, and electron back scatter diffraction (EBSD), where we perform these experiments on identical surface areas as small as 2 × 2 µm2 with a lateral resolution well below 50 nm. The topography of the absorber surfaces indicates two main morphological features: micro-faceted, long basalt-like columns and their short nano-faceted terminations. Our STS results reveal that the long columns exhibit spectral signatures typical for the presence of pronounced oxidation-induced surface dipoles in conjunction with an increased density of electronic defect levels. In contrast, the nano-faceted terminations of the basalt-like columns are largely passivated in terms of electronic defect levels within the band gap region. Corresponding crystallographic data based on EBSD experiments show that the surface of the basalt-like columns can be assigned to intrinsically polar facet orientations, while the passivated terminations are assigned to non-polar planes. Ab-initio calculations suggest that the polar surfaces are more prone to oxidation and resulting O-induced defects, in comparison to non-polar planes. Our results emphasize the correlation between morphology, surface facet orientations and surface electronic properties. Furthermore, this work aids in gaining a fundamental understanding of oxidation induced lateral inhomogeneities in view of the p-n junction formation in chalcopyrite thin-film solar cells.' author: - first_name: Amala full_name: Elizabeth, Amala last_name: Elizabeth - first_name: Hauke full_name: Conradi, Hauke last_name: Conradi - first_name: Sudhir full_name: K. Sahoo, Sudhir last_name: K. Sahoo - first_name: Tim full_name: Kodalle, Tim last_name: Kodalle - first_name: Christian full_name: A. Kaufmann, Christian last_name: A. Kaufmann - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Hossein full_name: Mirhosseini, Hossein id: '71051' last_name: Mirhosseini orcid: https://orcid.org/0000-0001-6179-1545 - first_name: Daniel full_name: Abou-Ras, Daniel last_name: Abou-Ras - first_name: Harry full_name: Mönig, Harry last_name: Mönig citation: ama: Elizabeth A, Conradi H, K. Sahoo S, et al. Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia. 2020;200. doi:https://doi.org/10.1016/j.actamat.2020.09.028 apa: Elizabeth, A., Conradi, H., K. Sahoo, S., Kodalle, T., A. Kaufmann, C., Kühne, T., … Mönig, H. (2020). Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia, 200. https://doi.org/10.1016/j.actamat.2020.09.028 bibtex: '@article{Elizabeth_Conradi_K. Sahoo_Kodalle_A. Kaufmann_Kühne_Mirhosseini_Abou-Ras_Mönig_2020, title={Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films}, volume={200}, DOI={https://doi.org/10.1016/j.actamat.2020.09.028}, journal={Acta Materialia}, author={Elizabeth, Amala and Conradi, Hauke and K. Sahoo, Sudhir and Kodalle, Tim and A. Kaufmann, Christian and Kühne, Thomas and Mirhosseini, Hossein and Abou-Ras, Daniel and Mönig, Harry}, year={2020} }' chicago: Elizabeth, Amala, Hauke Conradi, Sudhir K. Sahoo, Tim Kodalle, Christian A. Kaufmann, Thomas Kühne, Hossein Mirhosseini, Daniel Abou-Ras, and Harry Mönig. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia 200 (2020). https://doi.org/10.1016/j.actamat.2020.09.028. ieee: A. Elizabeth et al., “Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films,” Acta Materialia, vol. 200, 2020. mla: Elizabeth, Amala, et al. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia, vol. 200, 2020, doi:https://doi.org/10.1016/j.actamat.2020.09.028. short: A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. Kühne, H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020). date_created: 2020-10-01T09:19:55Z date_updated: 2022-01-06T06:54:13Z department: - _id: '613' doi: https://doi.org/10.1016/j.actamat.2020.09.028 intvolume: ' 200' keyword: - Chalcopyrite absorber - Scanning tunneling spectroscopy - Electron backscatter diffraction - Density functional theory - Surface dipole language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Acta Materialia publication_identifier: issn: - 1359-6454 status: public title: Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films type: journal_article user_id: '71692' volume: 200 year: '2020' ... --- _id: '21239' abstract: - lang: eng text: The electrochemical nitrogen reduction reaction (NRR) to ammonia (NH3) is a promising alternative route for an NH3 synthesis at ambient conditions to the conventional high temperature and pressure Haber--Bosch process without the need for hydrogen gas. Single metal ions or atoms are attractive candidates for the catalytic activation of non-reactive nitrogen (N2), and for future targeted improvement of NRR catalysts, it is of utmost importance to get detailed insights into structure-performance relationships and mechanisms of N2 activation in such structures. Here, we report density functional theory studies on the NRR catalyzed by single Au and Fe atoms supported in graphitic C2N materials. Our results show that the metal atoms present in the structure of C2N are the reactive sites, which catalyze the aforesaid reaction by strong adsorption and activation of N2. We further demonstrate that a lower onset electrode potential is required for Fe--C2N than for Au--C2N. Thus, Fe--C2N is theoretically predicted to be a potentially better NRR catalyst at ambient conditions than Au--C2N owing to the larger adsorption energy of N2 molecules. Furthermore, we have experimentally shown that single sites of Au and Fe supported on nitrogen-doped porous carbon are indeed active NRR catalysts. However, in contrast to our theoretical results, the Au-based catalyst performed slightly better with a Faradaic efficiency (FE) of 10.1{\%} than the Fe-based catalyst with an FE of 8.4{\%} at −0.2 V vs. RHE. The DFT calculations suggest that this difference is due to the competitive hydrogen evolution reaction and higher desorption energy of ammonia. author: - first_name: Sudhir K. full_name: Sahoo, Sudhir K. last_name: Sahoo - first_name: Julian Joachim full_name: Heske, Julian Joachim id: '53238' last_name: Heske - first_name: Markus full_name: Antonietti, Markus last_name: Antonietti - first_name: Qing full_name: Qin, Qing last_name: Qin - first_name: Martin full_name: Oschatz, Martin last_name: Oschatz - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne citation: ama: Sahoo SK, Heske JJ, Antonietti M, Qin Q, Oschatz M, Kühne T. Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon. ACS Applied Energy Materials. 2020;3(10):10061-10069. doi:10.1021/acsaem.0c01740 apa: Sahoo, S. K., Heske, J. J., Antonietti, M., Qin, Q., Oschatz, M., & Kühne, T. (2020). Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon. ACS Applied Energy Materials, 3(10), 10061–10069. https://doi.org/10.1021/acsaem.0c01740 bibtex: '@article{Sahoo_Heske_Antonietti_Qin_Oschatz_Kühne_2020, title={Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon}, volume={3}, DOI={10.1021/acsaem.0c01740}, number={10}, journal={ACS Applied Energy Materials}, publisher={American Chemical Society}, author={Sahoo, Sudhir K. and Heske, Julian Joachim and Antonietti, Markus and Qin, Qing and Oschatz, Martin and Kühne, Thomas}, year={2020}, pages={10061–10069} }' chicago: 'Sahoo, Sudhir K., Julian Joachim Heske, Markus Antonietti, Qing Qin, Martin Oschatz, and Thomas Kühne. “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy Materials 3, no. 10 (2020): 10061–69. https://doi.org/10.1021/acsaem.0c01740.' ieee: S. K. Sahoo, J. J. Heske, M. Antonietti, Q. Qin, M. Oschatz, and T. Kühne, “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon,” ACS Applied Energy Materials, vol. 3, no. 10, pp. 10061–10069, 2020. mla: Sahoo, Sudhir K., et al. “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy Materials, vol. 3, no. 10, American Chemical Society, 2020, pp. 10061–69, doi:10.1021/acsaem.0c01740. short: S.K. Sahoo, J.J. Heske, M. Antonietti, Q. Qin, M. Oschatz, T. Kühne, ACS Applied Energy Materials 3 (2020) 10061–10069. date_created: 2021-02-16T10:49:02Z date_updated: 2022-01-06T06:54:50Z department: - _id: '304' doi: 10.1021/acsaem.0c01740 intvolume: ' 3' issue: '10' language: - iso: eng page: 10061-10069 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: ACS Applied Energy Materials publisher: American Chemical Society status: public title: Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon type: journal_article user_id: '71692' volume: 3 year: '2020' ... --- _id: '17375' author: - first_name: Jiaqi full_name: Zhou, Jiaqi last_name: Zhou - first_name: Mohammad full_name: Khazaei, Mohammad last_name: Khazaei - first_name: Ahmad full_name: Ranjbar, Ahmad last_name: Ranjbar - first_name: Vei full_name: Wang, Vei last_name: Wang - first_name: Thomas D. full_name: Kühne, Thomas D. last_name: Kühne - first_name: Kaoru full_name: Ohno, Kaoru last_name: Ohno - first_name: Yoshiyuki full_name: Kawazoe, Yoshiyuki last_name: Kawazoe - first_name: Yunye full_name: Liang, Yunye last_name: Liang citation: ama: 'Zhou J, Khazaei M, Ranjbar A, et al. Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study. J Mater Chem C. 2020;8:5211-5221. doi:10.1039/C9TC06837F' apa: 'Zhou, J., Khazaei, M., Ranjbar, A., Wang, V., Kühne, T. D., Ohno, K., … Liang, Y. (2020). Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study. J. Mater. Chem. C, 8, 5211–5221. https://doi.org/10.1039/C9TC06837F' bibtex: '@article{Zhou_Khazaei_Ranjbar_Wang_Kühne_Ohno_Kawazoe_Liang_2020, title={Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study}, volume={8}, DOI={10.1039/C9TC06837F}, journal={J. Mater. Chem. C}, publisher={The Royal Society of Chemistry}, author={Zhou, Jiaqi and Khazaei, Mohammad and Ranjbar, Ahmad and Wang, Vei and Kühne, Thomas D. and Ohno, Kaoru and Kawazoe, Yoshiyuki and Liang, Yunye}, year={2020}, pages={5211–5221} }' chicago: 'Zhou, Jiaqi, Mohammad Khazaei, Ahmad Ranjbar, Vei Wang, Thomas D. Kühne, Kaoru Ohno, Yoshiyuki Kawazoe, and Yunye Liang. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study.” J. Mater. Chem. C 8 (2020): 5211–21. https://doi.org/10.1039/C9TC06837F.' ieee: 'J. Zhou et al., “Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study,” J. Mater. Chem. C, vol. 8, pp. 5211–5221, 2020.' mla: 'Zhou, Jiaqi, et al. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study.” J. Mater. Chem. C, vol. 8, The Royal Society of Chemistry, 2020, pp. 5211–21, doi:10.1039/C9TC06837F.' short: J. Zhou, M. Khazaei, A. Ranjbar, V. Wang, T.D. Kühne, K. Ohno, Y. Kawazoe, Y. Liang, J. Mater. Chem. C 8 (2020) 5211–5221. date_created: 2020-07-14T09:12:35Z date_updated: 2022-01-06T06:53:10Z department: - _id: '304' doi: 10.1039/C9TC06837F intvolume: ' 8' language: - iso: eng page: 5211-5221 publication: J. Mater. Chem. C publisher: The Royal Society of Chemistry status: public title: 'Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study' type: journal_article user_id: '71692' volume: 8 year: '2020' ... --- _id: '17379' author: - first_name: 'Sudhir ' full_name: 'Kumar Sahoo, Sudhir ' last_name: Kumar Sahoo - first_name: Julian Joachim full_name: Heske, Julian Joachim id: '53238' last_name: Heske - first_name: Sam full_name: Azadi, Sam last_name: Azadi - first_name: 'Zhenzhe ' full_name: 'Zhang, Zhenzhe ' last_name: Zhang - first_name: ' Nadezda ' full_name: 'V Tarakina, Nadezda ' last_name: V Tarakina - first_name: 'Martin ' full_name: 'Oschatz, Martin ' last_name: Oschatz - first_name: 'Rustam ' full_name: 'Z. Khaliullin, Rustam ' last_name: Z. Khaliullin - first_name: ' Markus ' full_name: 'Antonietti, Markus ' last_name: Antonietti - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne citation: ama: Kumar Sahoo S, Heske JJ, Azadi S, et al. On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports. 2020;10(1). doi:10.1038/s41598-020-62638-z apa: Kumar Sahoo, S., Heske, J. J., Azadi, S., Zhang, Z., V  Tarakina, Nadezda , Oschatz, M., … Kühne, T. (2020). On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports, 10(1). https://doi.org/10.1038/s41598-020-62638-z bibtex: '@article{Kumar Sahoo_Heske_Azadi_Zhang_V  Tarakina_Oschatz_Z. Khaliullin_Antonietti_Kühne_2020, title={On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials}, volume={10}, DOI={10.1038/s41598-020-62638-z}, number={1}, journal={Scientific Reports}, author={Kumar Sahoo, Sudhir and Heske, Julian Joachim and Azadi, Sam and Zhang, Zhenzhe and V  Tarakina, Nadezda and Oschatz, Martin and Z. Khaliullin, Rustam and Antonietti, Markus and Kühne, Thomas}, year={2020} }' chicago: Kumar Sahoo, Sudhir , Julian Joachim Heske, Sam Azadi, Zhenzhe Zhang, Nadezda V  Tarakina, Martin Oschatz, Rustam Z. Khaliullin, Markus Antonietti, and Thomas Kühne. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.” Scientific Reports 10, no. 1 (2020). https://doi.org/10.1038/s41598-020-62638-z. ieee: S. Kumar Sahoo et al., “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials,” Scientific Reports, vol. 10, no. 1, 2020. mla: Kumar Sahoo, Sudhir, et al. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.” Scientific Reports, vol. 10, no. 1, 2020, doi:10.1038/s41598-020-62638-z. short: S. Kumar Sahoo, J.J. Heske, S. Azadi, Z. Zhang, Nadezda V  Tarakina, M. Oschatz, R. Z. Khaliullin, Markus Antonietti, T. Kühne, Scientific Reports 10 (2020). date_created: 2020-07-14T09:31:03Z date_updated: 2022-01-06T06:53:10Z department: - _id: '304' doi: 10.1038/s41598-020-62638-z intvolume: ' 10' issue: '1' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Scientific Reports publication_status: published status: public title: On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials type: journal_article user_id: '71692' volume: 10 year: '2020' ... --- _id: '17381' author: - first_name: Hossam full_name: Elgabarty, Hossam last_name: Elgabarty - first_name: Tobias full_name: Kampfrath, Tobias last_name: Kampfrath - first_name: Douwe Jan full_name: Bonthuis, Douwe Jan last_name: Bonthuis - first_name: Vasileios full_name: Balos, Vasileios last_name: Balos - first_name: Naveen Kumar full_name: Kaliannan, Naveen Kumar last_name: Kaliannan - first_name: Philip full_name: Loche, Philip last_name: Loche - first_name: Roland R. full_name: Netz, Roland R. last_name: Netz - first_name: Martin full_name: Wolf, Martin last_name: Wolf - first_name: Thomas D. full_name: K{\, Thomas D. last_name: K{\ - first_name: Mohsen full_name: Sajadi, Mohsen last_name: Sajadi citation: ama: Elgabarty H, Kampfrath T, Bonthuis DJ, et al. Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation. Science Advances. 2020;6(17). doi:10.1126/sciadv.aay7074 apa: Elgabarty, H., Kampfrath, T., Bonthuis, D. J., Balos, V., Kaliannan, N. K., Loche, P., … Sajadi, M. (2020). Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation. Science Advances, 6(17). https://doi.org/10.1126/sciadv.aay7074 bibtex: '@article{Elgabarty_Kampfrath_Bonthuis_Balos_Kaliannan_Loche_Netz_Wolf_K{\_Sajadi_2020, title={Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation}, volume={6}, DOI={10.1126/sciadv.aay7074}, number={17}, journal={Science Advances}, publisher={American Association for the Advancement of Science}, author={Elgabarty, Hossam and Kampfrath, Tobias and Bonthuis, Douwe Jan and Balos, Vasileios and Kaliannan, Naveen Kumar and Loche, Philip and Netz, Roland R. and Wolf, Martin and K{\, Thomas D. and Sajadi, Mohsen}, year={2020} }' chicago: Elgabarty, Hossam, Tobias Kampfrath, Douwe Jan Bonthuis, Vasileios Balos, Naveen Kumar Kaliannan, Philip Loche, Roland R. Netz, Martin Wolf, Thomas D. K{\, and Mohsen Sajadi. “Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation.” Science Advances 6, no. 17 (2020). https://doi.org/10.1126/sciadv.aay7074. ieee: H. Elgabarty et al., “Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation,” Science Advances, vol. 6, no. 17, 2020. mla: Elgabarty, Hossam, et al. “Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation.” Science Advances, vol. 6, no. 17, American Association for the Advancement of Science, 2020, doi:10.1126/sciadv.aay7074. short: H. Elgabarty, T. Kampfrath, D.J. Bonthuis, V. Balos, N.K. Kaliannan, P. Loche, R.R. Netz, M. Wolf, T.D. K{\, M. Sajadi, Science Advances 6 (2020). date_created: 2020-07-14T09:32:33Z date_updated: 2022-01-06T06:53:10Z department: - _id: '304' doi: 10.1126/sciadv.aay7074 intvolume: ' 6' issue: '17' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Science Advances publisher: American Association for the Advancement of Science status: public title: Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation type: journal_article user_id: '71692' volume: 6 year: '2020' ... --- _id: '17386' author: - first_name: Thomas D. full_name: Kühne, Thomas D. last_name: Kühne - first_name: Marcella full_name: Iannuzzi, Marcella last_name: Iannuzzi - first_name: Mauro full_name: Del Ben, Mauro last_name: Del Ben - first_name: Vladimir V. full_name: Rybkin, Vladimir V. last_name: Rybkin - first_name: Patrick full_name: Seewald, Patrick last_name: Seewald - first_name: Frederick full_name: Stein, Frederick last_name: Stein - first_name: Teodoro full_name: Laino, Teodoro last_name: Laino - first_name: Rustam Z. full_name: Khaliullin, Rustam Z. last_name: Khaliullin - first_name: Ole full_name: Schütt, Ole last_name: Schütt - first_name: Florian full_name: Schiffmann, Florian last_name: Schiffmann - first_name: et full_name: al., et last_name: al. citation: ama: 'Kühne TD, Iannuzzi M, Del Ben M, et al. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 2020;152(19):194103. doi:10.1063/5.0007045' apa: 'Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., … al., et. (2020). CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics, 152(19), 194103. https://doi.org/10.1063/5.0007045' bibtex: '@article{Kühne_Iannuzzi_Del Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et al._2020, title={CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations}, volume={152}, DOI={10.1063/5.0007045}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kühne, Thomas D. and Iannuzzi, Marcella and Del Ben, Mauro and Rybkin, Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and Schütt, Ole and Schiffmann, Florian and et al.}, year={2020}, pages={194103} }' chicago: 'Kühne, Thomas D., Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020): 194103. https://doi.org/10.1063/5.0007045.' ieee: 'T. D. Kühne et al., “CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations,” The Journal of Chemical Physics, vol. 152, no. 19, p. 194103, 2020.' mla: 'Kühne, Thomas D., et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics, vol. 152, no. 19, AIP Publishing, 2020, p. 194103, doi:10.1063/5.0007045.' short: T.D. Kühne, M. Iannuzzi, M. Del Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, et al., The Journal of Chemical Physics 152 (2020) 194103. date_created: 2020-07-14T09:41:47Z date_updated: 2022-01-06T06:53:10Z department: - _id: '304' doi: 10.1063/5.0007045 intvolume: ' 152' issue: '19' language: - iso: eng page: '194103' project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: The Journal of Chemical Physics publication_identifier: issn: - 1089-7690 publisher: AIP Publishing status: public title: 'CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations' type: journal_article user_id: '71692' volume: 152 year: '2020' ... --- _id: '23599' abstract: - lang: eng text: 'Grazing-incidence wide-angle X-ray scattering (GIWAXS) has become an increasingly popular technique for quantitative structural characterization and comparison of thin films. For this purpose, accurate intensity normalization and peak position determination are crucial. At present, few tools exist to estimate the uncertainties of these measurements. Here, a simulation package is introduced called GIWAXS-SIIRkit, where SIIR stands for scattering intensity, indexing and refraction. The package contains several tools that are freely available for download and can be executed in MATLAB. The package includes three functionalities: estimation of the relative scattering intensity and the corresponding uncertainty based on experimental setup and sample dimensions; extraction and indexing of peak positions to approximate the crystal structure of organic materials starting from calibrated GIWAXS patterns; and analysis of the effects of refraction on peak positions. Each tool is based on a graphical user interface and designed to have a short learning curve. A user guide is provided with detailed usage instruction, tips for adding functionality and customization, and exemplary files.' author: - first_name: Victoria full_name: Savikhin, Victoria last_name: Savikhin - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Ru-Ze full_name: Liang, Ru-Ze last_name: Liang - first_name: Brian A. full_name: Collins, Brian A. last_name: Collins - first_name: Stefan D. full_name: Oosterhout, Stefan D. last_name: Oosterhout - first_name: Pierre M. full_name: Beaujuge, Pierre M. last_name: Beaujuge - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney citation: ama: 'Savikhin V, Steinrück H-G, Liang R-Z, et al. GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials. Journal of Applied Crystallography. 2020;53:1108-1129. doi:10.1107/s1600576720005476' apa: 'Savikhin, V., Steinrück, H.-G., Liang, R.-Z., Collins, B. A., Oosterhout, S. D., Beaujuge, P. M., & Toney, M. F. (2020). GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials. Journal of Applied Crystallography, 53, 1108–1129. https://doi.org/10.1107/s1600576720005476' bibtex: '@article{Savikhin_Steinrück_Liang_Collins_Oosterhout_Beaujuge_Toney_2020, title={GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials}, volume={53}, DOI={10.1107/s1600576720005476}, journal={Journal of Applied Crystallography}, author={Savikhin, Victoria and Steinrück, Hans-Georg and Liang, Ru-Ze and Collins, Brian A. and Oosterhout, Stefan D. and Beaujuge, Pierre M. and Toney, Michael F.}, year={2020}, pages={1108–1129} }' chicago: 'Savikhin, Victoria, Hans-Georg Steinrück, Ru-Ze Liang, Brian A. Collins, Stefan D. Oosterhout, Pierre M. Beaujuge, and Michael F. Toney. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” Journal of Applied Crystallography 53 (2020): 1108–29. https://doi.org/10.1107/s1600576720005476.' ieee: 'V. Savikhin et al., “GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials,” Journal of Applied Crystallography, vol. 53, pp. 1108–1129, 2020, doi: 10.1107/s1600576720005476.' mla: 'Savikhin, Victoria, et al. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” Journal of Applied Crystallography, vol. 53, 2020, pp. 1108–29, doi:10.1107/s1600576720005476.' short: V. Savikhin, H.-G. Steinrück, R.-Z. Liang, B.A. Collins, S.D. Oosterhout, P.M. Beaujuge, M.F. Toney, Journal of Applied Crystallography 53 (2020) 1108–1129. date_created: 2021-09-01T09:07:00Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1107/s1600576720005476 intvolume: ' 53' language: - iso: eng page: 1108-1129 publication: Journal of Applied Crystallography publication_identifier: issn: - 1600-5767 publication_status: published status: public title: 'GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials' type: journal_article user_id: '84268' volume: 53 year: '2020' ... --- _id: '23600' author: - first_name: Jan full_name: Gebers, Jan last_name: Gebers - first_name: Bilal full_name: Özen, Bilal last_name: Özen - first_name: Lucia full_name: Hartmann, Lucia last_name: Hartmann - first_name: Michel full_name: Schaer, Michel last_name: Schaer - first_name: Stéphane full_name: Suàrez, Stéphane last_name: Suàrez - first_name: Philippe full_name: Bugnon, Philippe last_name: Bugnon - first_name: Rosario full_name: Scopelliti, Rosario last_name: Scopelliti - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Oleg full_name: Konovalov, Oleg last_name: Konovalov - first_name: Andreas full_name: Magerl, Andreas last_name: Magerl - first_name: Martin full_name: Brinkmann, Martin last_name: Brinkmann - first_name: Riccardo full_name: Petraglia, Riccardo last_name: Petraglia - first_name: Piotr full_name: Silva, Piotr last_name: Silva - first_name: Clémence full_name: Corminboeuf, Clémence last_name: Corminboeuf - first_name: Holger full_name: Frauenrath, Holger last_name: Frauenrath citation: ama: Gebers J, Özen B, Hartmann L, et al. Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene. Chemistry – A European Journal. 2020;26:10265-10275. doi:10.1002/chem.201904562 apa: Gebers, J., Özen, B., Hartmann, L., Schaer, M., Suàrez, S., Bugnon, P., Scopelliti, R., Steinrück, H.-G., Konovalov, O., Magerl, A., Brinkmann, M., Petraglia, R., Silva, P., Corminboeuf, C., & Frauenrath, H. (2020). Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene. Chemistry – A European Journal, 26, 10265–10275. https://doi.org/10.1002/chem.201904562 bibtex: '@article{Gebers_Özen_Hartmann_Schaer_Suàrez_Bugnon_Scopelliti_Steinrück_Konovalov_Magerl_et al._2020, title={Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene}, volume={26}, DOI={10.1002/chem.201904562}, journal={Chemistry – A European Journal}, author={Gebers, Jan and Özen, Bilal and Hartmann, Lucia and Schaer, Michel and Suàrez, Stéphane and Bugnon, Philippe and Scopelliti, Rosario and Steinrück, Hans-Georg and Konovalov, Oleg and Magerl, Andreas and et al.}, year={2020}, pages={10265–10275} }' chicago: 'Gebers, Jan, Bilal Özen, Lucia Hartmann, Michel Schaer, Stéphane Suàrez, Philippe Bugnon, Rosario Scopelliti, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” Chemistry – A European Journal 26 (2020): 10265–75. https://doi.org/10.1002/chem.201904562.' ieee: 'J. Gebers et al., “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene,” Chemistry – A European Journal, vol. 26, pp. 10265–10275, 2020, doi: 10.1002/chem.201904562.' mla: Gebers, Jan, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” Chemistry – A European Journal, vol. 26, 2020, pp. 10265–75, doi:10.1002/chem.201904562. short: J. Gebers, B. Özen, L. Hartmann, M. Schaer, S. Suàrez, P. Bugnon, R. Scopelliti, H.-G. Steinrück, O. Konovalov, A. Magerl, M. Brinkmann, R. Petraglia, P. Silva, C. Corminboeuf, H. Frauenrath, Chemistry – A European Journal 26 (2020) 10265–10275. date_created: 2021-09-01T09:07:50Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1002/chem.201904562 intvolume: ' 26' language: - iso: eng page: 10265-10275 publication: Chemistry – A European Journal publication_identifier: issn: - 0947-6539 - 1521-3765 publication_status: published status: public title: Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene type: journal_article user_id: '84268' volume: 26 year: '2020' ... --- _id: '23601' author: - first_name: Maged full_name: Abdelsamie, Maged last_name: Abdelsamie - first_name: Junwei full_name: Xu, Junwei last_name: Xu - first_name: Karsten full_name: Bruening, Karsten last_name: Bruening - first_name: Christopher J. full_name: Tassone, Christopher J. last_name: Tassone - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney citation: ama: Abdelsamie M, Xu J, Bruening K, Tassone CJ, Steinrück H-G, Toney MF. Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation. Advanced Functional Materials. 2020;30:2001752. doi:10.1002/adfm.202001752 apa: Abdelsamie, M., Xu, J., Bruening, K., Tassone, C. J., Steinrück, H.-G., & Toney, M. F. (2020). Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation. Advanced Functional Materials, 30, 2001752. https://doi.org/10.1002/adfm.202001752 bibtex: '@article{Abdelsamie_Xu_Bruening_Tassone_Steinrück_Toney_2020, title={Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation}, volume={30}, DOI={10.1002/adfm.202001752}, journal={Advanced Functional Materials}, author={Abdelsamie, Maged and Xu, Junwei and Bruening, Karsten and Tassone, Christopher J. and Steinrück, Hans-Georg and Toney, Michael F.}, year={2020}, pages={2001752} }' chicago: 'Abdelsamie, Maged, Junwei Xu, Karsten Bruening, Christopher J. Tassone, Hans-Georg Steinrück, and Michael F. Toney. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” Advanced Functional Materials 30 (2020): 2001752. https://doi.org/10.1002/adfm.202001752.' ieee: 'M. Abdelsamie, J. Xu, K. Bruening, C. J. Tassone, H.-G. Steinrück, and M. F. Toney, “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation,” Advanced Functional Materials, vol. 30, p. 2001752, 2020, doi: 10.1002/adfm.202001752.' mla: Abdelsamie, Maged, et al. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” Advanced Functional Materials, vol. 30, 2020, p. 2001752, doi:10.1002/adfm.202001752. short: M. Abdelsamie, J. Xu, K. Bruening, C.J. Tassone, H.-G. Steinrück, M.F. Toney, Advanced Functional Materials 30 (2020) 2001752. date_created: 2021-09-01T09:08:01Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1002/adfm.202001752 intvolume: ' 30' language: - iso: eng page: '2001752' publication: Advanced Functional Materials publication_identifier: issn: - 1616-301X - 1616-3028 publication_status: published status: public title: Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation type: journal_article user_id: '84268' volume: 30 year: '2020' ... --- _id: '23602' author: - first_name: Tanvir R. full_name: Tanim, Tanvir R. last_name: Tanim - first_name: Partha P. full_name: Paul, Partha P. last_name: Paul - first_name: Vivek full_name: Thampy, Vivek last_name: Thampy - first_name: Chuntian full_name: Cao, Chuntian last_name: Cao - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Johanna full_name: Nelson Weker, Johanna last_name: Nelson Weker - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney - first_name: Eric J. full_name: Dufek, Eric J. last_name: Dufek - first_name: Michael C. full_name: Evans, Michael C. last_name: Evans - first_name: Andrew N. full_name: Jansen, Andrew N. last_name: Jansen - first_name: Bryant J. full_name: Polzin, Bryant J. last_name: Polzin - first_name: Alison R. full_name: Dunlop, Alison R. last_name: Dunlop - first_name: Stephen E. full_name: Trask, Stephen E. last_name: Trask citation: ama: Tanim TR, Paul PP, Thampy V, et al. Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging. Cell Reports Physical Science. 2020;1:100114. doi:10.1016/j.xcrp.2020.100114 apa: Tanim, T. R., Paul, P. P., Thampy, V., Cao, C., Steinrück, H.-G., Nelson Weker, J., Toney, M. F., Dufek, E. J., Evans, M. C., Jansen, A. N., Polzin, B. J., Dunlop, A. R., & Trask, S. E. (2020). Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging. Cell Reports Physical Science, 1, 100114. https://doi.org/10.1016/j.xcrp.2020.100114 bibtex: '@article{Tanim_Paul_Thampy_Cao_Steinrück_Nelson Weker_Toney_Dufek_Evans_Jansen_et al._2020, title={Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging}, volume={1}, DOI={10.1016/j.xcrp.2020.100114}, journal={Cell Reports Physical Science}, author={Tanim, Tanvir R. and Paul, Partha P. and Thampy, Vivek and Cao, Chuntian and Steinrück, Hans-Georg and Nelson Weker, Johanna and Toney, Michael F. and Dufek, Eric J. and Evans, Michael C. and Jansen, Andrew N. and et al.}, year={2020}, pages={100114} }' chicago: 'Tanim, Tanvir R., Partha P. Paul, Vivek Thampy, Chuntian Cao, Hans-Georg Steinrück, Johanna Nelson Weker, Michael F. Toney, et al. “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging.” Cell Reports Physical Science 1 (2020): 100114. https://doi.org/10.1016/j.xcrp.2020.100114.' ieee: 'T. R. Tanim et al., “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging,” Cell Reports Physical Science, vol. 1, p. 100114, 2020, doi: 10.1016/j.xcrp.2020.100114.' mla: Tanim, Tanvir R., et al. “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging.” Cell Reports Physical Science, vol. 1, 2020, p. 100114, doi:10.1016/j.xcrp.2020.100114. short: T.R. Tanim, P.P. Paul, V. Thampy, C. Cao, H.-G. Steinrück, J. Nelson Weker, M.F. Toney, E.J. Dufek, M.C. Evans, A.N. Jansen, B.J. Polzin, A.R. Dunlop, S.E. Trask, Cell Reports Physical Science 1 (2020) 100114. date_created: 2021-09-01T09:08:07Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1016/j.xcrp.2020.100114 intvolume: ' 1' language: - iso: eng page: '100114' publication: Cell Reports Physical Science publication_identifier: issn: - 2666-3864 publication_status: published status: public title: Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging type: journal_article user_id: '84268' volume: 1 year: '2020' ... --- _id: '23603' author: - first_name: Sharon E. full_name: Bone, Sharon E. last_name: Bone - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney citation: ama: Bone SE, Steinrück H-G, Toney MF. Advanced Characterization in Clean Water Technologies. Joule. 2020;4:1637-1659. doi:10.1016/j.joule.2020.06.020 apa: Bone, S. E., Steinrück, H.-G., & Toney, M. F. (2020). Advanced Characterization in Clean Water Technologies. Joule, 4, 1637–1659. https://doi.org/10.1016/j.joule.2020.06.020 bibtex: '@article{Bone_Steinrück_Toney_2020, title={Advanced Characterization in Clean Water Technologies}, volume={4}, DOI={10.1016/j.joule.2020.06.020}, journal={Joule}, author={Bone, Sharon E. and Steinrück, Hans-Georg and Toney, Michael F.}, year={2020}, pages={1637–1659} }' chicago: 'Bone, Sharon E., Hans-Georg Steinrück, and Michael F. Toney. “Advanced Characterization in Clean Water Technologies.” Joule 4 (2020): 1637–59. https://doi.org/10.1016/j.joule.2020.06.020.' ieee: 'S. E. Bone, H.-G. Steinrück, and M. F. Toney, “Advanced Characterization in Clean Water Technologies,” Joule, vol. 4, pp. 1637–1659, 2020, doi: 10.1016/j.joule.2020.06.020.' mla: Bone, Sharon E., et al. “Advanced Characterization in Clean Water Technologies.” Joule, vol. 4, 2020, pp. 1637–59, doi:10.1016/j.joule.2020.06.020. short: S.E. Bone, H.-G. Steinrück, M.F. Toney, Joule 4 (2020) 1637–1659. date_created: 2021-09-01T09:08:16Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1016/j.joule.2020.06.020 intvolume: ' 4' language: - iso: eng page: 1637-1659 publication: Joule publication_identifier: issn: - 2542-4351 publication_status: published status: public title: Advanced Characterization in Clean Water Technologies type: journal_article user_id: '84268' volume: 4 year: '2020' ... --- _id: '23604' abstract: - lang: eng text:

Investigation of the mechanisms underlying control of electrodeposited lithium metal morphology using electrolyte additives in lithium metal batteries.

author: - first_name: Robert M. full_name: Kasse, Robert M. last_name: Kasse - first_name: Natalie R. full_name: Geise, Natalie R. last_name: Geise - first_name: Jesse S. full_name: Ko, Jesse S. last_name: Ko - first_name: Johanna full_name: Nelson Weker, Johanna last_name: Nelson Weker - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney citation: ama: Kasse RM, Geise NR, Ko JS, Nelson Weker J, Steinrück H-G, Toney MF. Understanding additive controlled lithium morphology in lithium metal batteries. Journal of Materials Chemistry A. 2020;8:16960-16972. doi:10.1039/d0ta06020h apa: Kasse, R. M., Geise, N. R., Ko, J. S., Nelson Weker, J., Steinrück, H.-G., & Toney, M. F. (2020). Understanding additive controlled lithium morphology in lithium metal batteries. Journal of Materials Chemistry A, 8, 16960–16972. https://doi.org/10.1039/d0ta06020h bibtex: '@article{Kasse_Geise_Ko_Nelson Weker_Steinrück_Toney_2020, title={Understanding additive controlled lithium morphology in lithium metal batteries}, volume={8}, DOI={10.1039/d0ta06020h}, journal={Journal of Materials Chemistry A}, author={Kasse, Robert M. and Geise, Natalie R. and Ko, Jesse S. and Nelson Weker, Johanna and Steinrück, Hans-Georg and Toney, Michael F.}, year={2020}, pages={16960–16972} }' chicago: 'Kasse, Robert M., Natalie R. Geise, Jesse S. Ko, Johanna Nelson Weker, Hans-Georg Steinrück, and Michael F. Toney. “Understanding Additive Controlled Lithium Morphology in Lithium Metal Batteries.” Journal of Materials Chemistry A 8 (2020): 16960–72. https://doi.org/10.1039/d0ta06020h.' ieee: 'R. M. Kasse, N. R. Geise, J. S. Ko, J. Nelson Weker, H.-G. Steinrück, and M. F. Toney, “Understanding additive controlled lithium morphology in lithium metal batteries,” Journal of Materials Chemistry A, vol. 8, pp. 16960–16972, 2020, doi: 10.1039/d0ta06020h.' mla: Kasse, Robert M., et al. “Understanding Additive Controlled Lithium Morphology in Lithium Metal Batteries.” Journal of Materials Chemistry A, vol. 8, 2020, pp. 16960–72, doi:10.1039/d0ta06020h. short: R.M. Kasse, N.R. Geise, J.S. Ko, J. Nelson Weker, H.-G. Steinrück, M.F. Toney, Journal of Materials Chemistry A 8 (2020) 16960–16972. date_created: 2021-09-01T09:08:25Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1039/d0ta06020h intvolume: ' 8' language: - iso: eng page: 16960-16972 publication: Journal of Materials Chemistry A publication_identifier: issn: - 2050-7488 - 2050-7496 publication_status: published status: public title: Understanding additive controlled lithium morphology in lithium metal batteries type: journal_article user_id: '84268' volume: 8 year: '2020' ... --- _id: '23605' author: - first_name: Bryan D. full_name: Paulsen, Bryan D. last_name: Paulsen - first_name: Ruiheng full_name: Wu, Ruiheng last_name: Wu - first_name: Christopher J. full_name: Takacs, Christopher J. last_name: Takacs - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Joseph full_name: Strzalka, Joseph last_name: Strzalka - first_name: Qingteng full_name: Zhang, Qingteng last_name: Zhang - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney - first_name: Jonathan full_name: Rivnay, Jonathan last_name: Rivnay citation: ama: Paulsen BD, Wu R, Takacs CJ, et al. Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor. Advanced Materials. 2020;32:2003404. doi:10.1002/adma.202003404 apa: Paulsen, B. D., Wu, R., Takacs, C. J., Steinrück, H.-G., Strzalka, J., Zhang, Q., Toney, M. F., & Rivnay, J. (2020). Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor. Advanced Materials, 32, 2003404. https://doi.org/10.1002/adma.202003404 bibtex: '@article{Paulsen_Wu_Takacs_Steinrück_Strzalka_Zhang_Toney_Rivnay_2020, title={Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor}, volume={32}, DOI={10.1002/adma.202003404}, journal={Advanced Materials}, author={Paulsen, Bryan D. and Wu, Ruiheng and Takacs, Christopher J. and Steinrück, Hans-Georg and Strzalka, Joseph and Zhang, Qingteng and Toney, Michael F. and Rivnay, Jonathan}, year={2020}, pages={2003404} }' chicago: 'Paulsen, Bryan D., Ruiheng Wu, Christopher J. Takacs, Hans-Georg Steinrück, Joseph Strzalka, Qingteng Zhang, Michael F. Toney, and Jonathan Rivnay. “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor.” Advanced Materials 32 (2020): 2003404. https://doi.org/10.1002/adma.202003404.' ieee: 'B. D. Paulsen et al., “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor,” Advanced Materials, vol. 32, p. 2003404, 2020, doi: 10.1002/adma.202003404.' mla: Paulsen, Bryan D., et al. “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor.” Advanced Materials, vol. 32, 2020, p. 2003404, doi:10.1002/adma.202003404. short: B.D. Paulsen, R. Wu, C.J. Takacs, H.-G. Steinrück, J. Strzalka, Q. Zhang, M.F. Toney, J. Rivnay, Advanced Materials 32 (2020) 2003404. date_created: 2021-09-01T09:08:32Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1002/adma.202003404 intvolume: ' 32' language: - iso: eng page: '2003404' publication: Advanced Materials publication_identifier: issn: - 0935-9648 - 1521-4095 publication_status: published status: public title: Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor type: journal_article user_id: '84268' volume: 32 year: '2020' ... --- _id: '23606' author: - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Chuntian full_name: Cao, Chuntian last_name: Cao - first_name: Maria R. full_name: Lukatskaya, Maria R. last_name: Lukatskaya - first_name: Christopher J. full_name: Takacs, Christopher J. last_name: Takacs - first_name: Gang full_name: Wan, Gang last_name: Wan - first_name: David G. full_name: Mackanic, David G. last_name: Mackanic - first_name: Yuchi full_name: Tsao, Yuchi last_name: Tsao - first_name: Jingbo full_name: Zhao, Jingbo last_name: Zhao - first_name: Brett A. full_name: Helms, Brett A. last_name: Helms - first_name: Kang full_name: Xu, Kang last_name: Xu - first_name: Oleg full_name: Borodin, Oleg last_name: Borodin - first_name: James F. full_name: Wishart, James F. last_name: Wishart - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney citation: ama: 'Steinrück H-G, Cao C, Lukatskaya MR, et al. Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces. Angewandte Chemie International Edition. 2020;59:23180-23187. doi:10.1002/anie.202007745' apa: 'Steinrück, H.-G., Cao, C., Lukatskaya, M. R., Takacs, C. J., Wan, G., Mackanic, D. G., Tsao, Y., Zhao, J., Helms, B. A., Xu, K., Borodin, O., Wishart, J. F., & Toney, M. F. (2020). Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces. Angewandte Chemie International Edition, 59, 23180–23187. https://doi.org/10.1002/anie.202007745' bibtex: '@article{Steinrück_Cao_Lukatskaya_Takacs_Wan_Mackanic_Tsao_Zhao_Helms_Xu_et al._2020, title={Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces}, volume={59}, DOI={10.1002/anie.202007745}, journal={Angewandte Chemie International Edition}, author={Steinrück, Hans-Georg and Cao, Chuntian and Lukatskaya, Maria R. and Takacs, Christopher J. and Wan, Gang and Mackanic, David G. and Tsao, Yuchi and Zhao, Jingbo and Helms, Brett A. and Xu, Kang and et al.}, year={2020}, pages={23180–23187} }' chicago: 'Steinrück, Hans-Georg, Chuntian Cao, Maria R. Lukatskaya, Christopher J. Takacs, Gang Wan, David G. Mackanic, Yuchi Tsao, et al. “Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces.” Angewandte Chemie International Edition 59 (2020): 23180–87. https://doi.org/10.1002/anie.202007745.' ieee: 'H.-G. Steinrück et al., “Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces,” Angewandte Chemie International Edition, vol. 59, pp. 23180–23187, 2020, doi: 10.1002/anie.202007745.' mla: 'Steinrück, Hans-Georg, et al. “Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces.” Angewandte Chemie International Edition, vol. 59, 2020, pp. 23180–87, doi:10.1002/anie.202007745.' short: H.-G. Steinrück, C. Cao, M.R. Lukatskaya, C.J. Takacs, G. Wan, D.G. Mackanic, Y. Tsao, J. Zhao, B.A. Helms, K. Xu, O. Borodin, J.F. Wishart, M.F. Toney, Angewandte Chemie International Edition 59 (2020) 23180–23187. date_created: 2021-09-01T09:08:37Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1002/anie.202007745 intvolume: ' 59' language: - iso: eng page: 23180-23187 publication: Angewandte Chemie International Edition publication_identifier: issn: - 1433-7851 - 1521-3773 publication_status: published status: public title: 'Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces' type: journal_article user_id: '84268' volume: 59 year: '2020' ... --- _id: '23607' abstract: - lang: eng text:

Direct measurements of concentration and velocity profiles in a polymeric lithium-ion battery electrolyte provide insights into the transference number.

author: - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Christopher J. full_name: Takacs, Christopher J. last_name: Takacs - first_name: Hong-Keun full_name: Kim, Hong-Keun last_name: Kim - first_name: David G. full_name: Mackanic, David G. last_name: Mackanic - first_name: Benjamin full_name: Holladay, Benjamin last_name: Holladay - first_name: Chuntian full_name: Cao, Chuntian last_name: Cao - first_name: Suresh full_name: Narayanan, Suresh last_name: Narayanan - first_name: Eric M. full_name: Dufresne, Eric M. last_name: Dufresne - first_name: Yuriy full_name: Chushkin, Yuriy last_name: Chushkin - first_name: Beatrice full_name: Ruta, Beatrice last_name: Ruta - first_name: Federico full_name: Zontone, Federico last_name: Zontone - first_name: Johannes full_name: Will, Johannes last_name: Will - first_name: Oleg full_name: Borodin, Oleg last_name: Borodin - first_name: Sunil K. full_name: Sinha, Sunil K. last_name: Sinha - first_name: Venkat full_name: Srinivasan, Venkat last_name: Srinivasan - first_name: Michael F. full_name: Toney, Michael F. last_name: Toney citation: ama: Steinrück H-G, Takacs CJ, Kim H-K, et al. Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte. Energy & Environmental Science. 2020;13:4312-4321. doi:10.1039/d0ee02193h apa: Steinrück, H.-G., Takacs, C. J., Kim, H.-K., Mackanic, D. G., Holladay, B., Cao, C., Narayanan, S., Dufresne, E. M., Chushkin, Y., Ruta, B., Zontone, F., Will, J., Borodin, O., Sinha, S. K., Srinivasan, V., & Toney, M. F. (2020). Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte. Energy & Environmental Science, 13, 4312–4321. https://doi.org/10.1039/d0ee02193h bibtex: '@article{Steinrück_Takacs_Kim_Mackanic_Holladay_Cao_Narayanan_Dufresne_Chushkin_Ruta_et al._2020, title={Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte}, volume={13}, DOI={10.1039/d0ee02193h}, journal={Energy & Environmental Science}, author={Steinrück, Hans-Georg and Takacs, Christopher J. and Kim, Hong-Keun and Mackanic, David G. and Holladay, Benjamin and Cao, Chuntian and Narayanan, Suresh and Dufresne, Eric M. and Chushkin, Yuriy and Ruta, Beatrice and et al.}, year={2020}, pages={4312–4321} }' chicago: 'Steinrück, Hans-Georg, Christopher J. Takacs, Hong-Keun Kim, David G. Mackanic, Benjamin Holladay, Chuntian Cao, Suresh Narayanan, et al. “Concentration and Velocity Profiles in a Polymeric Lithium-Ion Battery Electrolyte.” Energy & Environmental Science 13 (2020): 4312–21. https://doi.org/10.1039/d0ee02193h.' ieee: 'H.-G. Steinrück et al., “Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte,” Energy & Environmental Science, vol. 13, pp. 4312–4321, 2020, doi: 10.1039/d0ee02193h.' mla: Steinrück, Hans-Georg, et al. “Concentration and Velocity Profiles in a Polymeric Lithium-Ion Battery Electrolyte.” Energy & Environmental Science, vol. 13, 2020, pp. 4312–21, doi:10.1039/d0ee02193h. short: H.-G. Steinrück, C.J. Takacs, H.-K. Kim, D.G. Mackanic, B. Holladay, C. Cao, S. Narayanan, E.M. Dufresne, Y. Chushkin, B. Ruta, F. Zontone, J. Will, O. Borodin, S.K. Sinha, V. Srinivasan, M.F. Toney, Energy & Environmental Science 13 (2020) 4312–4321. date_created: 2021-09-01T09:08:45Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1039/d0ee02193h intvolume: ' 13' language: - iso: eng page: 4312-4321 publication: Energy & Environmental Science publication_identifier: issn: - 1754-5692 - 1754-5706 publication_status: published status: public title: Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte type: journal_article user_id: '84268' volume: 13 year: '2020' ... --- _id: '23608' author: - first_name: Annemarie full_name: Prihoda, Annemarie last_name: Prihoda - first_name: Johannes full_name: Will, Johannes last_name: Will - first_name: Patrick full_name: Duchstein, Patrick last_name: Duchstein - first_name: Bahanur full_name: Becit, Bahanur last_name: Becit - first_name: Felix full_name: Lossin, Felix last_name: Lossin - first_name: Torben full_name: Schindler, Torben last_name: Schindler - first_name: Marvin full_name: Berlinghof, Marvin last_name: Berlinghof - first_name: Hans-Georg full_name: Steinrück, Hans-Georg id: '84268' last_name: Steinrück orcid: 0000-0001-6373-0877 - first_name: Florian full_name: Bertram, Florian last_name: Bertram - first_name: Dirk full_name: Zahn, Dirk last_name: Zahn - first_name: Tobias full_name: Unruh, Tobias last_name: Unruh citation: ama: Prihoda A, Will J, Duchstein P, et al. Interface between Water–Solvent Mixtures and a Hydrophobic Surface. Langmuir. 2020;36:12077-12086. doi:10.1021/acs.langmuir.0c02745 apa: Prihoda, A., Will, J., Duchstein, P., Becit, B., Lossin, F., Schindler, T., Berlinghof, M., Steinrück, H.-G., Bertram, F., Zahn, D., & Unruh, T. (2020). Interface between Water–Solvent Mixtures and a Hydrophobic Surface. Langmuir, 36, 12077–12086. https://doi.org/10.1021/acs.langmuir.0c02745 bibtex: '@article{Prihoda_Will_Duchstein_Becit_Lossin_Schindler_Berlinghof_Steinrück_Bertram_Zahn_et al._2020, title={Interface between Water–Solvent Mixtures and a Hydrophobic Surface}, volume={36}, DOI={10.1021/acs.langmuir.0c02745}, journal={Langmuir}, author={Prihoda, Annemarie and Will, Johannes and Duchstein, Patrick and Becit, Bahanur and Lossin, Felix and Schindler, Torben and Berlinghof, Marvin and Steinrück, Hans-Georg and Bertram, Florian and Zahn, Dirk and et al.}, year={2020}, pages={12077–12086} }' chicago: 'Prihoda, Annemarie, Johannes Will, Patrick Duchstein, Bahanur Becit, Felix Lossin, Torben Schindler, Marvin Berlinghof, et al. “Interface between Water–Solvent Mixtures and a Hydrophobic Surface.” Langmuir 36 (2020): 12077–86. https://doi.org/10.1021/acs.langmuir.0c02745.' ieee: 'A. Prihoda et al., “Interface between Water–Solvent Mixtures and a Hydrophobic Surface,” Langmuir, vol. 36, pp. 12077–12086, 2020, doi: 10.1021/acs.langmuir.0c02745.' mla: Prihoda, Annemarie, et al. “Interface between Water–Solvent Mixtures and a Hydrophobic Surface.” Langmuir, vol. 36, 2020, pp. 12077–86, doi:10.1021/acs.langmuir.0c02745. short: A. Prihoda, J. Will, P. Duchstein, B. Becit, F. Lossin, T. Schindler, M. Berlinghof, H.-G. Steinrück, F. Bertram, D. Zahn, T. Unruh, Langmuir 36 (2020) 12077–12086. date_created: 2021-09-01T09:08:51Z date_updated: 2022-01-06T06:55:57Z department: - _id: '633' doi: 10.1021/acs.langmuir.0c02745 intvolume: ' 36' language: - iso: eng page: 12077-12086 publication: Langmuir publication_identifier: issn: - 0743-7463 - 1520-5827 publication_status: published status: public title: Interface between Water–Solvent Mixtures and a Hydrophobic Surface type: journal_article user_id: '84268' volume: 36 year: '2020' ...