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K., Rosin, M., Schmidt, W. G., Hogan, C., Glorius, F., Esser, N., & Dähne, M. (2021). Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon. Nature Chemistry, 828–835. https://doi.org/10.1038/s41557-021-00721-2","ama":"Franz M, Chandola S, Koy M, et al. Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon. Nature Chemistry. 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Franz, S. Chandola, M. Koy, R. Zielinski, H. Aldahhak, M. Das, M. Freitag, U. Gerstmann, D. Liebig, A.K. Hoffmann, M. Rosin, W.G. Schmidt, C. Hogan, F. Glorius, N. Esser, M. Dähne, Nature Chemistry (2021) 828–835.","ieee":"M. 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L. Kozub, A. Schindlmayr, U. Gerstmann, and W. G. Schmidt, “Polaronic enhancement of second-harmonic generation in lithium niobate,” Physical Review B, vol. 104, p. 174110, 2021, doi: 10.1103/PhysRevB.104.174110.","short":"A.L. Kozub, A. Schindlmayr, U. Gerstmann, W.G. Schmidt, Physical Review B 104 (2021) 174110.","bibtex":"@article{Kozub_Schindlmayr_Gerstmann_Schmidt_2021, title={Polaronic enhancement of second-harmonic generation in lithium niobate}, volume={104}, DOI={10.1103/PhysRevB.104.174110}, journal={Physical Review B}, publisher={American Physical Society}, author={Kozub, Agnieszka L. and Schindlmayr, Arno and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2021}, pages={174110} }","mla":"Kozub, Agnieszka L., et al. “Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate.” Physical Review B, vol. 104, American Physical Society, 2021, p. 174110, doi:10.1103/PhysRevB.104.174110.","apa":"Kozub, A. L., Schindlmayr, A., Gerstmann, U., & Schmidt, W. G. (2021). Polaronic enhancement of second-harmonic generation in lithium niobate. Physical Review B, 104, 174110. https://doi.org/10.1103/PhysRevB.104.174110","ama":"Kozub AL, Schindlmayr A, Gerstmann U, Schmidt WG. Polaronic enhancement of second-harmonic generation in lithium niobate. Physical Review B. 2021;104:174110. doi:10.1103/PhysRevB.104.174110","chicago":"Kozub, Agnieszka L., Arno Schindlmayr, Uwe Gerstmann, and Wolf Gero Schmidt. “Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate.” Physical Review B 104 (2021): 174110. https://doi.org/10.1103/PhysRevB.104.174110."},"year":"2021","type":"journal_article","_id":"23418","intvolume":" 104","date_created":"2021-08-16T19:09:46Z","has_accepted_license":"1","status":"public","volume":104,"file":[{"date_updated":"2021-11-18T20:49:19Z","content_type":"application/pdf","relation":"main_file","description":"© 2021 American Physical Society","file_id":"27577","creator":"schindlm","file_size":804012,"title":"Polaronic enhancement of second-harmonic generation in lithium niobate","access_level":"open_access","file_name":"PhysRevB.104.174110.pdf","date_created":"2021-11-18T20:49:19Z"}],"file_date_updated":"2021-11-18T20:49:19Z","publication":"Physical Review B","author":[{"orcid":"https://orcid.org/0000-0001-6584-0201","full_name":"Kozub, Agnieszka L.","first_name":"Agnieszka L.","id":"77566","last_name":"Kozub"},{"first_name":"Arno","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","id":"458"},{"last_name":"Gerstmann","id":"171","first_name":"Uwe","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"}],"publisher":"American Physical Society","quality_controlled":"1","user_id":"171","ddc":["530"],"abstract":[{"lang":"eng","text":"Density-functional theory within a Berry-phase formulation of the dynamical polarization is used to determine the second-order susceptibility χ(2) of lithium niobate (LiNbO3). Defect trapped polarons and bipolarons are found to strongly enhance the nonlinear susceptibility of the material, in particular if localized at NbV–VLi defect pairs. This is essentially a consequence of the polaronic excitation resulting in relaxation-induced gap states. The occupation of these levels leads to strongly enhanced χ(2) coefficients and allows for the spatial and transient modification of the second-harmonic generation of macroscopic samples."}],"article_type":"original"},{"year":"2020","type":"journal_article","citation":{"chicago":"Meier, Lukas, Christian Braun, Thomas Hannappel, and Wolf Gero Schmidt. “Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations.” Physica Status Solidi (b) 258, no. 2 (2020). https://doi.org/10.1002/pssb.202000463.","apa":"Meier, L., Braun, C., Hannappel, T., & Schmidt, W. G. (2020). Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations. Physica Status Solidi (b), 258(2), Article 2000463. https://doi.org/10.1002/pssb.202000463","ama":"Meier L, Braun C, Hannappel T, Schmidt WG. Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations. physica status solidi (b). 2020;258(2). doi:10.1002/pssb.202000463","mla":"Meier, Lukas, et al. “Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations.” Physica Status Solidi (b), vol. 258, no. 2, 2000463, Wiley, 2020, doi:10.1002/pssb.202000463.","bibtex":"@article{Meier_Braun_Hannappel_Schmidt_2020, title={Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations}, volume={258}, DOI={10.1002/pssb.202000463}, number={22000463}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2020} }","short":"L. Meier, C. Braun, T. Hannappel, W.G. Schmidt, Physica Status Solidi (b) 258 (2020).","ieee":"L. Meier, C. Braun, T. Hannappel, and W. G. Schmidt, “Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations,” physica status solidi (b), vol. 258, no. 2, Art. no. 2000463, 2020, doi: 10.1002/pssb.202000463."},"article_number":"2000463","issue":"2","intvolume":" 258","_id":"40233","volume":258,"date_created":"2023-01-26T09:33:46Z","status":"public","keyword":["Condensed Matter Physics","Electronic","Optical and Magnetic Materials"],"publication":"physica status solidi (b)","publisher":"Wiley","author":[{"full_name":"Meier, Lukas","first_name":"Lukas","last_name":"Meier"},{"full_name":"Braun, Christian","first_name":"Christian","last_name":"Braun"},{"first_name":"Thomas","full_name":"Hannappel, Thomas","last_name":"Hannappel"},{"id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"}],"user_id":"16199","language":[{"iso":"eng"}],"doi":"10.1002/pssb.202000463","date_updated":"2023-04-20T14:18:36Z","publication_identifier":{"issn":["0370-1972","1521-3951"]},"publication_status":"published","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"}],"title":"Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations"},{"language":[{"iso":"eng"}],"date_updated":"2023-04-20T14:17:42Z","doi":"10.1016/j.surfrep.2020.100480","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"429"},{"_id":"230"},{"_id":"35"}],"publication_identifier":{"issn":["0167-5729"]},"publication_status":"published","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"}],"title":"Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures","year":"2020","citation":{"ieee":"E. Speiser, N. Esser, B. Halbig, J. Geurts, W. G. Schmidt, and S. Sanna, “Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures,” Surface Science Reports, vol. 75, no. 1, Art. no. 100480, 2020, doi: 10.1016/j.surfrep.2020.100480.","short":"E. Speiser, N. Esser, B. Halbig, J. Geurts, W.G. Schmidt, S. Sanna, Surface Science Reports 75 (2020).","mla":"Speiser, Eugen, et al. “Vibrational Raman Spectroscopy on Adsorbate-Induced Low-Dimensional Surface Structures.” Surface Science Reports, vol. 75, no. 1, 100480, 2020, doi:10.1016/j.surfrep.2020.100480.","bibtex":"@article{Speiser_Esser_Halbig_Geurts_Schmidt_Sanna_2020, title={Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures}, volume={75}, DOI={10.1016/j.surfrep.2020.100480}, number={1100480}, journal={Surface Science Reports}, author={Speiser, Eugen and Esser, Norbert and Halbig, Benedikt and Geurts, Jean and Schmidt, Wolf Gero and Sanna, Simone}, year={2020} }","chicago":"Speiser, Eugen, Norbert Esser, Benedikt Halbig, Jean Geurts, Wolf Gero Schmidt, and Simone Sanna. “Vibrational Raman Spectroscopy on Adsorbate-Induced Low-Dimensional Surface Structures.” Surface Science Reports 75, no. 1 (2020). https://doi.org/10.1016/j.surfrep.2020.100480.","ama":"Speiser E, Esser N, Halbig B, Geurts J, Schmidt WG, Sanna S. Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. Surface Science Reports. 2020;75(1). doi:10.1016/j.surfrep.2020.100480","apa":"Speiser, E., Esser, N., Halbig, B., Geurts, J., Schmidt, W. G., & Sanna, S. (2020). Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. Surface Science Reports, 75(1), Article 100480. https://doi.org/10.1016/j.surfrep.2020.100480"},"type":"journal_article","_id":"17067","intvolume":" 75","article_number":"100480","issue":"1","publication":"Surface Science Reports","author":[{"last_name":"Speiser","first_name":"Eugen","full_name":"Speiser, Eugen"},{"first_name":"Norbert","full_name":"Esser, Norbert","last_name":"Esser"},{"last_name":"Halbig","full_name":"Halbig, Benedikt","first_name":"Benedikt"},{"first_name":"Jean","full_name":"Geurts, Jean","last_name":"Geurts"},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468","last_name":"Schmidt"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"}],"volume":75,"date_created":"2020-05-29T09:52:49Z","status":"public","user_id":"16199"},{"project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication_status":"published","publication_identifier":{"eissn":["2643-1564"]},"isi":"1","department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"295"},{"_id":"288"},{"_id":"15"},{"_id":"170"},{"_id":"35"},{"_id":"790"}],"title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","external_id":{"isi":["000604206300002"]},"language":[{"iso":"eng"}],"oa":"1","doi":"10.1103/PhysRevResearch.2.043002","date_updated":"2023-04-20T16:06:21Z","status":"public","has_accepted_license":"1","date_created":"2020-09-09T09:35:21Z","volume":2,"file":[{"date_created":"2020-10-02T07:27:38Z","file_name":"PhysRevResearch.2.043002.pdf","access_level":"open_access","title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","file_id":"19843","creator":"schindlm","file_size":1955183,"relation":"main_file","description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","date_updated":"2020-10-02T07:37:24Z","content_type":"application/pdf"}],"author":[{"full_name":"Schmidt, Falko","orcid":"0000-0002-5071-5528","first_name":"Falko","id":"35251","last_name":"Schmidt"},{"full_name":"Kozub, Agnieszka L.","orcid":"https://orcid.org/0000-0001-6584-0201","first_name":"Agnieszka L.","id":"77566","last_name":"Kozub"},{"first_name":"Timur","full_name":"Biktagirov, Timur","last_name":"Biktagirov","id":"65612"},{"last_name":"Eigner","id":"13244","first_name":"Christof","full_name":"Eigner, Christof","orcid":"https://orcid.org/0000-0002-5693-3083"},{"last_name":"Silberhorn","id":"26263","first_name":"Christine","full_name":"Silberhorn, Christine"},{"id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","first_name":"Arno"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"last_name":"Gerstmann","id":"171","first_name":"Uwe","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X"}],"quality_controlled":"1","publisher":"American Physical Society","publication":"Physical Review Research","file_date_updated":"2020-10-02T07:37:24Z","user_id":"16199","ddc":["530"],"article_type":"original","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."}],"year":"2020","citation":{"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.","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","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.","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} }","short":"F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).","ieee":"F. Schmidt 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."},"type":"journal_article","issue":"4","article_number":"043002","_id":"19190","intvolume":" 2"},{"title":"A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"286"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"publication_identifier":{"issn":["2046-2069"]},"publication_status":"published","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_updated":"2023-04-20T16:07:42Z","doi":"10.1039/d0ra08749a","language":[{"iso":"eng"}],"abstract":[{"text":"
A hole transfer from an excited Ru unit towards graphene oxide significantly improved the photocatalytic activity of the complexes.
","lang":"eng"}],"user_id":"16199","publisher":"Royal Society of Chemistry (RSC)","author":[{"full_name":"Rosenthal, Marta","first_name":"Marta","last_name":"Rosenthal"},{"first_name":"Jörg","full_name":"Lindner, Jörg","last_name":"Lindner","id":"20797"},{"orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","first_name":"Uwe","id":"171","last_name":"Gerstmann"},{"first_name":"Armin","full_name":"Meier, Armin","last_name":"Meier"},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"},{"last_name":"Wilhelm","full_name":"Wilhelm, René","first_name":"René"}],"keyword":["General Chemical Engineering","General Chemistry"],"publication":"RSC Advances","volume":10,"status":"public","date_created":"2022-02-03T15:10:50Z","_id":"29744","intvolume":" 10","issue":"70","type":"journal_article","year":"2020","citation":{"bibtex":"@article{Rosenthal_Lindner_Gerstmann_Meier_Schmidt_Wilhelm_2020, title={A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide}, volume={10}, DOI={10.1039/d0ra08749a}, number={70}, journal={RSC Advances}, publisher={Royal Society of Chemistry (RSC)}, author={Rosenthal, Marta and Lindner, Jörg and Gerstmann, Uwe and Meier, Armin and Schmidt, Wolf Gero and Wilhelm, René}, year={2020}, pages={42930–42937} }","mla":"Rosenthal, Marta, et al. “A Photoredox Catalysed Heck Reaction via Hole Transfer from a Ru(Ii)-Bis(Terpyridine) Complex to Graphene Oxide.” RSC Advances, vol. 10, no. 70, Royal Society of Chemistry (RSC), 2020, pp. 42930–37, doi:10.1039/d0ra08749a.","chicago":"Rosenthal, Marta, Jörg Lindner, Uwe Gerstmann, Armin Meier, Wolf Gero Schmidt, and René Wilhelm. “A Photoredox Catalysed Heck Reaction via Hole Transfer from a Ru(Ii)-Bis(Terpyridine) Complex to Graphene Oxide.” RSC Advances 10, no. 70 (2020): 42930–37. https://doi.org/10.1039/d0ra08749a.","apa":"Rosenthal, M., Lindner, J., Gerstmann, U., Meier, A., Schmidt, W. G., & Wilhelm, R. (2020). A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide. RSC Advances, 10(70), 42930–42937. https://doi.org/10.1039/d0ra08749a","ama":"Rosenthal M, Lindner J, Gerstmann U, Meier A, Schmidt WG, Wilhelm R. A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide. RSC Advances. 2020;10(70):42930-42937. doi:10.1039/d0ra08749a","ieee":"M. Rosenthal, J. Lindner, U. Gerstmann, A. Meier, W. G. Schmidt, and R. Wilhelm, “A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide,” RSC Advances, vol. 10, no. 70, pp. 42930–42937, 2020, doi: 10.1039/d0ra08749a.","short":"M. Rosenthal, J. Lindner, U. Gerstmann, A. Meier, W.G. Schmidt, R. Wilhelm, RSC Advances 10 (2020) 42930–42937."},"page":"42930-42937"},{"title":"Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures","user_id":"16199","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"},{"last_name":"Jakubik","full_name":"Jakubik, Wiesław","first_name":"Wiesław"},{"full_name":"Dias, Fernando B.","first_name":"Fernando B.","last_name":"Dias"},{"last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"},{"first_name":"Uwe","full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","id":"171"},{"first_name":"Maciej","full_name":"Krzywiecki, Maciej","last_name":"Krzywiecki"}],"publication":"The Journal of Physical Chemistry C","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"publication_status":"published","publication_identifier":{"issn":["1932-7447","1932-7455"]},"status":"public","date_created":"2020-05-29T09:51:10Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_updated":"2023-04-20T16:07:15Z","_id":"17066","doi":"10.1021/acs.jpcc.9b11116","issue":"124","year":"2020","citation":{"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.","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.","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} }","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.","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.","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","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"},"type":"journal_article","page":"6090-6102","language":[{"iso":"eng"}]},{"language":[{"iso":"eng"}],"year":"2020","type":"journal_article","citation":{"ieee":"C. Braun et al., “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces,” Physical Review Letters, vol. 124, no. 14, 2020, doi: 10.1103/physrevlett.124.146802.","short":"C. Braun, S. Neufeld, U. Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, W.G. Schmidt, Physical Review Letters 124 (2020).","mla":"Braun, Christian, et al. “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces.” Physical Review Letters, vol. 124, no. 14, 2020, doi:10.1103/physrevlett.124.146802.","bibtex":"@article{Braun_Neufeld_Gerstmann_Sanna_Plaickner_Speiser_Esser_Schmidt_2020, title={Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces}, volume={124}, DOI={10.1103/physrevlett.124.146802}, number={14}, journal={Physical Review Letters}, author={Braun, Christian and Neufeld, Sergej and Gerstmann, Uwe and Sanna, S. and Plaickner, J. and Speiser, E. and Esser, N. and Schmidt, Wolf Gero}, year={2020} }","chicago":"Braun, Christian, Sergej Neufeld, Uwe Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, and Wolf Gero Schmidt. “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces.” Physical Review Letters 124, no. 14 (2020). https://doi.org/10.1103/physrevlett.124.146802.","ama":"Braun C, Neufeld S, Gerstmann U, et al. Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces. Physical Review Letters. 2020;124(14). doi:10.1103/physrevlett.124.146802","apa":"Braun, C., Neufeld, S., Gerstmann, U., Sanna, S., Plaickner, J., Speiser, E., Esser, N., & Schmidt, W. G. (2020). Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces. 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