[{"intvolume":"        17","author":[{"full_name":"Schirmer, Marie-Luis","first_name":"Marie-Luis","last_name":"Schirmer"},{"full_name":"Adomeit, Sven","first_name":"Sven","last_name":"Adomeit"},{"first_name":"Thomas","full_name":"Werner, Thomas","last_name":"Werner","id":"89271","orcid":"0000-0001-9025-3244"}],"department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"citation":{"ieee":"M.-L. Schirmer, S. Adomeit, and T. Werner, “First Base-Free Catalytic Wittig Reaction,” <i>Organic Letters</i>, vol. 17, no. 12, pp. 3078–3081, 2015, doi: <a href=\"https://doi.org/10.1021/acs.orglett.5b01352\">10.1021/acs.orglett.5b01352</a>.","chicago":"Schirmer, Marie-Luis, Sven Adomeit, and Thomas Werner. “First Base-Free Catalytic Wittig Reaction.” <i>Organic Letters</i> 17, no. 12 (2015): 3078–81. <a href=\"https://doi.org/10.1021/acs.orglett.5b01352\">https://doi.org/10.1021/acs.orglett.5b01352</a>.","apa":"Schirmer, M.-L., Adomeit, S., &#38; Werner, T. (2015). First Base-Free Catalytic Wittig Reaction. <i>Organic Letters</i>, <i>17</i>(12), 3078–3081. <a href=\"https://doi.org/10.1021/acs.orglett.5b01352\">https://doi.org/10.1021/acs.orglett.5b01352</a>","ama":"Schirmer M-L, Adomeit S, Werner T. First Base-Free Catalytic Wittig Reaction. <i>Organic Letters</i>. 2015;17(12):3078-3081. doi:<a href=\"https://doi.org/10.1021/acs.orglett.5b01352\">10.1021/acs.orglett.5b01352</a>","short":"M.-L. Schirmer, S. Adomeit, T. Werner, Organic Letters 17 (2015) 3078–3081.","bibtex":"@article{Schirmer_Adomeit_Werner_2015, title={First Base-Free Catalytic Wittig Reaction}, volume={17}, DOI={<a href=\"https://doi.org/10.1021/acs.orglett.5b01352\">10.1021/acs.orglett.5b01352</a>}, number={12}, journal={Organic Letters}, publisher={American Chemical Society (ACS)}, author={Schirmer, Marie-Luis and Adomeit, Sven and Werner, Thomas}, year={2015}, pages={3078–3081} }","mla":"Schirmer, Marie-Luis, et al. “First Base-Free Catalytic Wittig Reaction.” <i>Organic Letters</i>, vol. 17, no. 12, American Chemical Society (ACS), 2015, pp. 3078–81, doi:<a href=\"https://doi.org/10.1021/acs.orglett.5b01352\">10.1021/acs.orglett.5b01352</a>."},"publication_status":"published","language":[{"iso":"eng"}],"publication_identifier":{"issn":["1523-7060","1523-7052"]},"year":"2015","status":"public","date_created":"2023-01-22T21:07:30Z","publisher":"American Chemical Society (ACS)","date_updated":"2025-11-10T09:28:45Z","_id":"37995","doi":"10.1021/acs.orglett.5b01352","title":"First Base-Free Catalytic Wittig Reaction","extern":"1","keyword":["T2","CSSD"],"user_id":"89271","type":"journal_article","publication":"Organic Letters","issue":"12","page":"3078-3081","volume":17},{"page":"459-467","volume":7,"issue":"3","publication":"ChemCatChem","type":"journal_article","keyword":["T1","CSSD"],"user_id":"89271","title":"Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides","extern":"1","doi":"10.1002/cctc.201402816","_id":"37998","date_updated":"2025-11-10T09:33:06Z","date_created":"2023-01-22T21:08:33Z","publisher":"Wiley","language":[{"iso":"eng"}],"year":"2015","publication_identifier":{"issn":["1867-3880"]},"status":"public","citation":{"short":"H. Büttner, K. Lau, A. Spannenberg, T. Werner, ChemCatChem 7 (2015) 459–467.","bibtex":"@article{Büttner_Lau_Spannenberg_Werner_2015, title={Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/cctc.201402816\">10.1002/cctc.201402816</a>}, number={3}, journal={ChemCatChem}, publisher={Wiley}, author={Büttner, Hendrik and Lau, Kornelia and Spannenberg, Anke and Werner, Thomas}, year={2015}, pages={459–467} }","mla":"Büttner, Hendrik, et al. “Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides.” <i>ChemCatChem</i>, vol. 7, no. 3, Wiley, 2015, pp. 459–67, doi:<a href=\"https://doi.org/10.1002/cctc.201402816\">10.1002/cctc.201402816</a>.","ieee":"H. Büttner, K. Lau, A. Spannenberg, and T. Werner, “Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides,” <i>ChemCatChem</i>, vol. 7, no. 3, pp. 459–467, 2015, doi: <a href=\"https://doi.org/10.1002/cctc.201402816\">10.1002/cctc.201402816</a>.","chicago":"Büttner, Hendrik, Kornelia Lau, Anke Spannenberg, and Thomas Werner. “Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides.” <i>ChemCatChem</i> 7, no. 3 (2015): 459–67. <a href=\"https://doi.org/10.1002/cctc.201402816\">https://doi.org/10.1002/cctc.201402816</a>.","ama":"Büttner H, Lau K, Spannenberg A, Werner T. Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides. <i>ChemCatChem</i>. 2015;7(3):459-467. doi:<a href=\"https://doi.org/10.1002/cctc.201402816\">10.1002/cctc.201402816</a>","apa":"Büttner, H., Lau, K., Spannenberg, A., &#38; Werner, T. (2015). Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides. <i>ChemCatChem</i>, <i>7</i>(3), 459–467. <a href=\"https://doi.org/10.1002/cctc.201402816\">https://doi.org/10.1002/cctc.201402816</a>"},"publication_status":"published","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"author":[{"last_name":"Büttner","first_name":"Hendrik","full_name":"Büttner, Hendrik"},{"last_name":"Lau","first_name":"Kornelia","full_name":"Lau, Kornelia"},{"first_name":"Anke","full_name":"Spannenberg, Anke","last_name":"Spannenberg"},{"last_name":"Werner","id":"89271","full_name":"Werner, Thomas","first_name":"Thomas","orcid":"0000-0001-9025-3244"}],"intvolume":"         7"},{"abstract":[{"lang":"eng","text":"The photo-conversion efficiency and stability of back-illuminated dye sensitised solar cells with titanium foil based photoanodes are enhanced by a simple nitric acid treatment through which the foil is passivated. This treatment changes the morphology of the titanium foil and increases its electrochemical double layer capacitance."}],"doi":"10.1039/c4ta05407e","extern":"1","title":"A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes","keyword":["dye sensitized solar cells","DSSCs"],"user_id":"116779","type":"journal_article","quality_controlled":"1","publication":"Journal of Materials Chemistry A","issue":"7","volume":3,"page":"3266-3270","intvolume":"         3","author":[{"orcid":"0000-0001-6883-5424","id":"116779","last_name":"Linnemann","full_name":"Linnemann, Julia","first_name":"Julia"},{"full_name":"Giorgio, J.","first_name":"J.","last_name":"Giorgio"},{"first_name":"K.","full_name":"Wagner, K.","last_name":"Wagner"},{"first_name":"G.","full_name":"Mathieson, G.","last_name":"Mathieson"},{"full_name":"Wallace, G. G.","first_name":"G. G.","last_name":"Wallace"},{"first_name":"D. L.","full_name":"Officer, D. L.","last_name":"Officer"}],"article_type":"original","department":[{"_id":"985"}],"publication_status":"published","citation":{"bibtex":"@article{Linnemann_Giorgio_Wagner_Mathieson_Wallace_Officer_2015, title={A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes}, volume={3}, DOI={<a href=\"https://doi.org/10.1039/c4ta05407e\">10.1039/c4ta05407e</a>}, number={7}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Linnemann, Julia and Giorgio, J. and Wagner, K. and Mathieson, G. and Wallace, G. G. and Officer, D. L.}, year={2015}, pages={3266–3270} }","mla":"Linnemann, Julia, et al. “A Simple One Step Process for Enhancement of Titanium Foil Dye Sensitised Solar Cell Anodes.” <i>Journal of Materials Chemistry A</i>, vol. 3, no. 7, Royal Society of Chemistry (RSC), 2015, pp. 3266–70, doi:<a href=\"https://doi.org/10.1039/c4ta05407e\">10.1039/c4ta05407e</a>.","short":"J. Linnemann, J. Giorgio, K. Wagner, G. Mathieson, G.G. Wallace, D.L. Officer, Journal of Materials Chemistry A 3 (2015) 3266–3270.","apa":"Linnemann, J., Giorgio, J., Wagner, K., Mathieson, G., Wallace, G. G., &#38; Officer, D. L. (2015). A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes. <i>Journal of Materials Chemistry A</i>, <i>3</i>(7), 3266–3270. <a href=\"https://doi.org/10.1039/c4ta05407e\">https://doi.org/10.1039/c4ta05407e</a>","ama":"Linnemann J, Giorgio J, Wagner K, Mathieson G, Wallace GG, Officer DL. A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes. <i>Journal of Materials Chemistry A</i>. 2015;3(7):3266-3270. doi:<a href=\"https://doi.org/10.1039/c4ta05407e\">10.1039/c4ta05407e</a>","ieee":"J. Linnemann, J. Giorgio, K. Wagner, G. Mathieson, G. G. Wallace, and D. L. Officer, “A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes,” <i>Journal of Materials Chemistry A</i>, vol. 3, no. 7, pp. 3266–3270, 2015, doi: <a href=\"https://doi.org/10.1039/c4ta05407e\">10.1039/c4ta05407e</a>.","chicago":"Linnemann, Julia, J. Giorgio, K. Wagner, G. Mathieson, G. G. Wallace, and D. L. Officer. “A Simple One Step Process for Enhancement of Titanium Foil Dye Sensitised Solar Cell Anodes.” <i>Journal of Materials Chemistry A</i> 3, no. 7 (2015): 3266–70. <a href=\"https://doi.org/10.1039/c4ta05407e\">https://doi.org/10.1039/c4ta05407e</a>."},"status":"public","language":[{"iso":"eng"}],"year":"2015","publication_identifier":{"issn":["2050-7488","2050-7496"]},"publisher":"Royal Society of Chemistry (RSC)","date_created":"2025-12-03T15:55:21Z","date_updated":"2025-12-03T16:34:56Z","_id":"62811"},{"date_created":"2019-05-29T08:41:18Z","publisher":"IOP Publishing","year":"2015","publication_identifier":{"issn":["0953-8984"],"eissn":["1361-648X"]},"language":[{"iso":"eng"}],"status":"public","isi":"1","_id":"10030","file_date_updated":"2020-08-30T14:46:56Z","date_updated":"2025-12-05T10:00:42Z","article_type":"original","author":[{"last_name":"Friedrich","full_name":"Friedrich, Michael","first_name":"Michael"},{"first_name":"Arthur","full_name":"Riefer, Arthur","last_name":"Riefer"},{"last_name":"Sanna","full_name":"Sanna, Simone","first_name":"Simone"},{"orcid":"0000-0002-2717-5076","id":"468","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"},{"last_name":"Schindlmayr","id":"458","first_name":"Arno","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X"}],"intvolume":"        27","citation":{"mla":"Friedrich, Michael, et al. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 38, 385402, IOP Publishing, 2015, doi:<a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>.","bibtex":"@article{Friedrich_Riefer_Sanna_Schmidt_Schindlmayr_2015, title={Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory}, volume={27}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>}, number={38385402}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Friedrich, Michael and Riefer, Arthur and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2015} }","short":"M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).","apa":"Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., &#38; Schindlmayr, A. (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. <i>Journal of Physics: Condensed Matter</i>, <i>27</i>(38), Article 385402. <a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">https://doi.org/10.1088/0953-8984/27/38/385402</a>","ama":"Friedrich M, Riefer A, Sanna S, Schmidt WG, Schindlmayr A. Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. <i>Journal of Physics: Condensed Matter</i>. 2015;27(38). doi:<a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>","chicago":"Friedrich, Michael, Arthur Riefer, Simone Sanna, Wolf Gero Schmidt, and Arno Schindlmayr. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” <i>Journal of Physics: Condensed Matter</i> 27, no. 38 (2015). <a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">https://doi.org/10.1088/0953-8984/27/38/385402</a>.","ieee":"M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 38, Art. no. 385402, 2015, doi: <a href=\"https://doi.org/10.1088/0953-8984/27/38/385402\">10.1088/0953-8984/27/38/385402</a>."},"publication_status":"published","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"publication":"Journal of Physics: Condensed Matter","ddc":["530"],"quality_controlled":"1","type":"journal_article","volume":27,"article_number":"385402","issue":"38","title":"Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory","file":[{"file_id":"18578","content_type":"application/pdf","date_created":"2020-08-28T14:24:23Z","file_name":"Friedrich_2015_J._Phys. _Condens._Matter_27_385402.pdf","date_updated":"2020-08-30T14:46:56Z","relation":"main_file","access_level":"closed","title":"Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory","description":"© 2015 IOP Publishing Ltd","creator":"schindlm","file_size":1793430}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"pmid":"1","doi":"10.1088/0953-8984/27/38/385402","has_accepted_license":"1","abstract":[{"lang":"eng","text":"The vibrational properties of stoichiometric LiNbO3 are analyzed within density-functional perturbation theory in order to obtain the complete phonon dispersion of the material. The phonon density of states of the ferroelectric (paraelectric) phase shows two (one) distinct band gaps separating the high-frequency (~800 cm−1) optical branches from the continuum of acoustic and lower optical phonon states. This result leads to specific heat capacites in close agreement with experimental measurements in the range 0–350 K and a Debye temperature of 574 K. The calculated zero-point renormalization of the electronic Kohn–Sham eigenvalues reveals a strong dependence on the phonon wave vectors, especially near Γ. Integrated over all phonon modes, our results indicate a vibrational correction of the electronic band gap of 0.41 eV at 0 K, which is in excellent agreement with the extrapolated temperature-dependent measurements."}],"user_id":"16199","external_id":{"pmid":["26337951"],"isi":["000362549700004"]}},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.1103/physrevb.92.220418","intvolume":"        92","title":"Mechanism for nuclear and electron spin excitation by radio frequency current","author":[{"last_name":"Müllegger","first_name":"Stefan","full_name":"Müllegger, Stefan"},{"last_name":"Rauls","full_name":"Rauls, Eva","first_name":"Eva"},{"orcid":"0000-0002-4476-223X","id":"171","last_name":"Gerstmann","first_name":"Uwe","full_name":"Gerstmann, Uwe"},{"last_name":"Tebi","first_name":"Stefano","full_name":"Tebi, Stefano"},{"first_name":"Giulia","full_name":"Serrano, Giulia","last_name":"Serrano"},{"last_name":"Wiespointner-Baumgarthuber","first_name":"Stefan","full_name":"Wiespointner-Baumgarthuber, Stefan"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","id":"468"},{"full_name":"Koch, Reinhold","first_name":"Reinhold","last_name":"Koch"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"citation":{"ieee":"S. Müllegger <i>et al.</i>, “Mechanism for nuclear and electron spin excitation by radio frequency current,” <i>Physical Review B</i>, vol. 92, no. 22, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.92.220418\">10.1103/physrevb.92.220418</a>.","chicago":"Müllegger, Stefan, Eva Rauls, Uwe Gerstmann, Stefano Tebi, Giulia Serrano, Stefan Wiespointner-Baumgarthuber, Wolf Gero Schmidt, and Reinhold Koch. “Mechanism for Nuclear and Electron Spin Excitation by Radio Frequency Current.” <i>Physical Review B</i> 92, no. 22 (2015). <a href=\"https://doi.org/10.1103/physrevb.92.220418\">https://doi.org/10.1103/physrevb.92.220418</a>.","apa":"Müllegger, S., Rauls, E., Gerstmann, U., Tebi, S., Serrano, G., Wiespointner-Baumgarthuber, S., Schmidt, W. G., &#38; Koch, R. (2015). Mechanism for nuclear and electron spin excitation by radio frequency current. <i>Physical Review B</i>, <i>92</i>(22). <a href=\"https://doi.org/10.1103/physrevb.92.220418\">https://doi.org/10.1103/physrevb.92.220418</a>","ama":"Müllegger S, Rauls E, Gerstmann U, et al. Mechanism for nuclear and electron spin excitation by radio frequency current. <i>Physical Review B</i>. 2015;92(22). doi:<a href=\"https://doi.org/10.1103/physrevb.92.220418\">10.1103/physrevb.92.220418</a>","short":"S. Müllegger, E. Rauls, U. Gerstmann, S. Tebi, G. Serrano, S. Wiespointner-Baumgarthuber, W.G. Schmidt, R. Koch, Physical Review B 92 (2015).","bibtex":"@article{Müllegger_Rauls_Gerstmann_Tebi_Serrano_Wiespointner-Baumgarthuber_Schmidt_Koch_2015, title={Mechanism for nuclear and electron spin excitation by radio frequency current}, volume={92}, DOI={<a href=\"https://doi.org/10.1103/physrevb.92.220418\">10.1103/physrevb.92.220418</a>}, number={22}, journal={Physical Review B}, author={Müllegger, Stefan and Rauls, Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber, Stefan and Schmidt, Wolf Gero and Koch, Reinhold}, year={2015} }","mla":"Müllegger, Stefan, et al. “Mechanism for Nuclear and Electron Spin Excitation by Radio Frequency Current.” <i>Physical Review B</i>, vol. 92, no. 22, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.92.220418\">10.1103/physrevb.92.220418</a>."},"user_id":"16199","publication_status":"published","year":"2015","publication_identifier":{"issn":["1098-0121","1550-235X"]},"type":"journal_article","language":[{"iso":"eng"}],"status":"public","publication":"Physical Review B","date_created":"2019-09-30T12:31:01Z","date_updated":"2025-12-05T10:20:23Z","issue":"22","_id":"13493","volume":92},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"27"}],"user_id":"16199","publication_status":"published","citation":{"ieee":"F. Edler <i>et al.</i>, “Interwire coupling forIn(4×1)/Si(111) probed by surface transport,” <i>Physical Review B</i>, vol. 92, no. 8, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.92.085426\">10.1103/physrevb.92.085426</a>.","chicago":"Edler, F., I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, Wolf Gero Schmidt, and C. Tegenkamp. “Interwire Coupling ForIn(4×1)/Si(111) Probed by Surface Transport.” <i>Physical Review B</i> 92, no. 8 (2015). <a href=\"https://doi.org/10.1103/physrevb.92.085426\">https://doi.org/10.1103/physrevb.92.085426</a>.","ama":"Edler F, Miccoli I, Demuth S, et al. Interwire coupling forIn(4×1)/Si(111) probed by surface transport. <i>Physical Review B</i>. 2015;92(8). doi:<a href=\"https://doi.org/10.1103/physrevb.92.085426\">10.1103/physrevb.92.085426</a>","apa":"Edler, F., Miccoli, I., Demuth, S., Pfnür, H., Wippermann, S., Lücke, A., Schmidt, W. G., &#38; Tegenkamp, C. (2015). Interwire coupling forIn(4×1)/Si(111) probed by surface transport. <i>Physical Review B</i>, <i>92</i>(8). <a href=\"https://doi.org/10.1103/physrevb.92.085426\">https://doi.org/10.1103/physrevb.92.085426</a>","short":"F. Edler, I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, W.G. Schmidt, C. Tegenkamp, Physical Review B 92 (2015).","bibtex":"@article{Edler_Miccoli_Demuth_Pfnür_Wippermann_Lücke_Schmidt_Tegenkamp_2015, title={Interwire coupling forIn(4×1)/Si(111) probed by surface transport}, volume={92}, DOI={<a href=\"https://doi.org/10.1103/physrevb.92.085426\">10.1103/physrevb.92.085426</a>}, number={8}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and Demuth, S. and Pfnür, H. and Wippermann, S. and Lücke, A. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2015} }","mla":"Edler, F., et al. “Interwire Coupling ForIn(4×1)/Si(111) Probed by Surface Transport.” <i>Physical Review B</i>, vol. 92, no. 8, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.92.085426\">10.1103/physrevb.92.085426</a>."},"doi":"10.1103/physrevb.92.085426","intvolume":"        92","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"author":[{"last_name":"Edler","first_name":"F.","full_name":"Edler, F."},{"first_name":"I.","full_name":"Miccoli, I.","last_name":"Miccoli"},{"last_name":"Demuth","full_name":"Demuth, S.","first_name":"S."},{"first_name":"H.","full_name":"Pfnür, H.","last_name":"Pfnür"},{"first_name":"S.","full_name":"Wippermann, S.","last_name":"Wippermann"},{"last_name":"Lücke","full_name":"Lücke, A.","first_name":"A."},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"last_name":"Tegenkamp","full_name":"Tegenkamp, C.","first_name":"C."}],"title":"Interwire coupling forIn(4×1)/Si(111) probed by surface transport","date_updated":"2025-12-05T10:18:45Z","issue":"8","volume":92,"_id":"13496","status":"public","year":"2015","type":"journal_article","publication_identifier":{"issn":["1098-0121","1550-235X"]},"language":[{"iso":"eng"}],"funded_apc":"1","publication":"Physical Review B","date_created":"2019-09-30T12:44:24Z"},{"date_updated":"2025-12-05T10:19:11Z","page":"260-265","_id":"13495","year":"2015","type":"journal_article","publication_identifier":{"issn":["0039-6028"]},"language":[{"iso":"eng"}],"status":"public","publication":"Surface Science","date_created":"2019-09-30T12:42:43Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"citation":{"short":"H. Aldahhak, E. Rauls, W.G. Schmidt, Surface Science (2015) 260–265.","bibtex":"@article{Aldahhak_Rauls_Schmidt_2015, title={Diindenoperylene adsorption on Cu(111) studied with density-functional theory}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2015.03.007\">10.1016/j.susc.2015.03.007</a>}, journal={Surface Science}, author={Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2015}, pages={260–265} }","mla":"Aldahhak, Hazem, et al. “Diindenoperylene Adsorption on Cu(111) Studied with Density-Functional Theory.” <i>Surface Science</i>, 2015, pp. 260–65, doi:<a href=\"https://doi.org/10.1016/j.susc.2015.03.007\">10.1016/j.susc.2015.03.007</a>.","ieee":"H. Aldahhak, E. Rauls, and W. G. Schmidt, “Diindenoperylene adsorption on Cu(111) studied with density-functional theory,” <i>Surface Science</i>, pp. 260–265, 2015, doi: <a href=\"https://doi.org/10.1016/j.susc.2015.03.007\">10.1016/j.susc.2015.03.007</a>.","chicago":"Aldahhak, Hazem, E. 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Diindenoperylene adsorption on Cu(111) studied with density-functional theory. <i>Surface Science</i>, 260–265. <a href=\"https://doi.org/10.1016/j.susc.2015.03.007\">https://doi.org/10.1016/j.susc.2015.03.007</a>"},"user_id":"16199","publication_status":"published","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.1016/j.susc.2015.03.007","title":"Diindenoperylene adsorption on Cu(111) studied with density-functional theory","author":[{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak","id":"26687"},{"last_name":"Rauls","first_name":"E.","full_name":"Rauls, E."},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076"}]},{"date_created":"2019-09-30T12:40:38Z","publication":"Surface Science","status":"public","language":[{"iso":"eng"}],"type":"journal_article","year":"2015","publication_identifier":{"issn":["0039-6028"]},"_id":"13494","page":"278-281","date_updated":"2025-12-05T10:19:47Z","author":[{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak"},{"id":"468","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"},{"last_name":"Rauls","full_name":"Rauls, E.","first_name":"E."}],"title":"Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces","doi":"10.1016/j.susc.2015.01.013","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication_status":"published","user_id":"16199","citation":{"mla":"Aldahhak, Hazem, et al. “Single PTCDA Molecules on Planar and Stepped KCl and NaCl(100) Surfaces.” <i>Surface Science</i>, 2015, pp. 278–81, doi:<a href=\"https://doi.org/10.1016/j.susc.2015.01.013\">10.1016/j.susc.2015.01.013</a>.","apa":"Aldahhak, H., Schmidt, W. G., &#38; Rauls, E. (2015). Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces. <i>Surface Science</i>, 278–281. <a href=\"https://doi.org/10.1016/j.susc.2015.01.013\">https://doi.org/10.1016/j.susc.2015.01.013</a>","bibtex":"@article{Aldahhak_Schmidt_Rauls_2015, title={Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2015.01.013\">10.1016/j.susc.2015.01.013</a>}, journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={278–281} }","ama":"Aldahhak H, Schmidt WG, Rauls E. Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces. <i>Surface Science</i>. Published online 2015:278-281. doi:<a href=\"https://doi.org/10.1016/j.susc.2015.01.013\">10.1016/j.susc.2015.01.013</a>","chicago":"Aldahhak, Hazem, Wolf Gero Schmidt, and E. Rauls. “Single PTCDA Molecules on Planar and Stepped KCl and NaCl(100) Surfaces.” <i>Surface Science</i>, 2015, 278–81. <a href=\"https://doi.org/10.1016/j.susc.2015.01.013\">https://doi.org/10.1016/j.susc.2015.01.013</a>.","short":"H. Aldahhak, W.G. Schmidt, E. Rauls, Surface Science (2015) 278–281.","ieee":"H. Aldahhak, W. G. Schmidt, and E. Rauls, “Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces,” <i>Surface Science</i>, pp. 278–281, 2015, doi: <a href=\"https://doi.org/10.1016/j.susc.2015.01.013\">10.1016/j.susc.2015.01.013</a>."},"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}]},{"funded_apc":"1","publication":"Physical Review B","date_created":"2019-09-30T13:01:01Z","status":"public","publication_identifier":{"issn":["1098-0121","1550-235X"]},"type":"journal_article","year":"2015","language":[{"iso":"eng"}],"volume":91,"_id":"13502","date_updated":"2025-12-05T10:38:18Z","issue":"19","author":[{"last_name":"Klein","first_name":"C.","full_name":"Klein, C."},{"full_name":"Vollmers, N. J.","first_name":"N. J.","last_name":"Vollmers"},{"full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","id":"171","orcid":"0000-0002-4476-223X"},{"last_name":"Zahl","first_name":"P.","full_name":"Zahl, P."},{"first_name":"D.","full_name":"Lükermann, D.","last_name":"Lükermann"},{"last_name":"Jnawali","full_name":"Jnawali, G.","first_name":"G."},{"last_name":"Pfnür","full_name":"Pfnür, H.","first_name":"H."},{"last_name":"Tegenkamp","full_name":"Tegenkamp, C.","first_name":"C."},{"last_name":"Sutter","full_name":"Sutter, P.","first_name":"P."},{"orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","id":"468","last_name":"Schmidt"},{"first_name":"M.","full_name":"Horn-von Hoegen, M.","last_name":"Horn-von Hoegen"}],"title":"Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films","intvolume":"        91","doi":"10.1103/physrevb.91.195441","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"user_id":"16199","publication_status":"published","citation":{"chicago":"Klein, C., N. J. Vollmers, Uwe Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into Bi(111) Films.” <i>Physical Review B</i> 91, no. 19 (2015). <a href=\"https://doi.org/10.1103/physrevb.91.195441\">https://doi.org/10.1103/physrevb.91.195441</a>.","ieee":"C. Klein <i>et al.</i>, “Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films,” <i>Physical Review B</i>, vol. 91, no. 19, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.91.195441\">10.1103/physrevb.91.195441</a>.","ama":"Klein C, Vollmers NJ, Gerstmann U, et al. Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films. <i>Physical Review B</i>. 2015;91(19). doi:<a href=\"https://doi.org/10.1103/physrevb.91.195441\">10.1103/physrevb.91.195441</a>","apa":"Klein, C., Vollmers, N. J., Gerstmann, U., Zahl, P., Lükermann, D., Jnawali, G., Pfnür, H., Tegenkamp, C., Sutter, P., Schmidt, W. G., &#38; Horn-von Hoegen, M. (2015). Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films. <i>Physical Review B</i>, <i>91</i>(19). <a href=\"https://doi.org/10.1103/physrevb.91.195441\">https://doi.org/10.1103/physrevb.91.195441</a>","short":"C. Klein, N.J. Vollmers, U. Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, C. Tegenkamp, P. Sutter, W.G. Schmidt, M. Horn-von Hoegen, Physical Review B 91 (2015).","mla":"Klein, C., et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into Bi(111) Films.” <i>Physical Review B</i>, vol. 91, no. 19, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.91.195441\">10.1103/physrevb.91.195441</a>.","bibtex":"@article{Klein_Vollmers_Gerstmann_Zahl_Lükermann_Jnawali_Pfnür_Tegenkamp_Sutter_Schmidt_et al._2015, title={Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films}, volume={91}, DOI={<a href=\"https://doi.org/10.1103/physrevb.91.195441\">10.1103/physrevb.91.195441</a>}, number={19}, journal={Physical Review B}, author={Klein, C. and Vollmers, N. J. and Gerstmann, Uwe and Zahl, P. and Lükermann, D. and Jnawali, G. and Pfnür, H. and Tegenkamp, C. and Sutter, P. and Schmidt, Wolf Gero and et al.}, year={2015} }"},"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"},{"_id":"27"}]},{"publication":"Computational Materials Science","date_created":"2019-09-30T13:06:04Z","publication_identifier":{"issn":["0927-0256"]},"year":"2015","type":"journal_article","language":[{"iso":"eng"}],"status":"public","_id":"13504","page":"145-150","volume":103,"date_updated":"2025-12-05T10:37:16Z","title":"Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles","author":[{"last_name":"Sanna","full_name":"Sanna, S.","first_name":"S."},{"last_name":"Dues","full_name":"Dues, C.","first_name":"C."},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","id":"468","orcid":"0000-0002-2717-5076"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B3","_id":"68"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"intvolume":"       103","doi":"10.1016/j.commatsci.2015.03.025","citation":{"short":"S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science 103 (2015) 145–150.","bibtex":"@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}, volume={103}, DOI={<a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>}, journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero}, year={2015}, pages={145–150} }","mla":"Sanna, S., et al. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” <i>Computational Materials Science</i>, vol. 103, 2015, pp. 145–50, doi:<a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>.","ieee":"S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” <i>Computational Materials Science</i>, vol. 103, pp. 145–150, 2015, doi: <a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>.","chicago":"Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” <i>Computational Materials Science</i> 103 (2015): 145–50. <a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">https://doi.org/10.1016/j.commatsci.2015.03.025</a>.","ama":"Sanna S, Dues C, Schmidt WG. Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. <i>Computational Materials Science</i>. 2015;103:145-150. doi:<a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">10.1016/j.commatsci.2015.03.025</a>","apa":"Sanna, S., Dues, C., &#38; Schmidt, W. G. (2015). Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. <i>Computational Materials Science</i>, <i>103</i>, 145–150. <a href=\"https://doi.org/10.1016/j.commatsci.2015.03.025\">https://doi.org/10.1016/j.commatsci.2015.03.025</a>"},"user_id":"16199","publication_status":"published","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}]},{"page":"8776-8783","_id":"13505","volume":17,"date_updated":"2025-12-05T10:36:44Z","date_created":"2019-09-30T13:15:09Z","publication":"Physical Chemistry Chemical Physics","language":[{"iso":"eng"}],"year":"2015","type":"journal_article","publication_identifier":{"issn":["1463-9076","1463-9084"]},"status":"public","citation":{"bibtex":"@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={<a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }","mla":"Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” <i>Physical Chemistry Chemical Physics</i>, vol. 17, 2015, pp. 8776–83, doi:<a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>.","short":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783.","ama":"Aldahhak H, Matencio S, Barrena E, Ocal C, Schmidt WG, Rauls E. Structure formation in diindenoperylene thin films on copper(111). <i>Physical Chemistry Chemical Physics</i>. 2015;17:8776-8783. doi:<a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>","apa":"Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., &#38; Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). <i>Physical Chemistry Chemical Physics</i>, <i>17</i>, 8776–8783. <a href=\"https://doi.org/10.1039/c4cp05271d\">https://doi.org/10.1039/c4cp05271d</a>","ieee":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” <i>Physical Chemistry Chemical Physics</i>, vol. 17, pp. 8776–8783, 2015, doi: <a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>.","chicago":"Aldahhak, Hazem, S. Matencio, E. Barrena, C. Ocal, Wolf Gero Schmidt, and E. Rauls. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” <i>Physical Chemistry Chemical Physics</i> 17 (2015): 8776–83. <a href=\"https://doi.org/10.1039/c4cp05271d\">https://doi.org/10.1039/c4cp05271d</a>."},"publication_status":"published","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"title":"Structure formation in diindenoperylene thin films on copper(111)","author":[{"first_name":"Hazem","full_name":"Aldahhak, Hazem","id":"26687","last_name":"Aldahhak"},{"full_name":"Matencio, S.","first_name":"S.","last_name":"Matencio"},{"full_name":"Barrena, E.","first_name":"E.","last_name":"Barrena"},{"last_name":"Ocal","first_name":"C.","full_name":"Ocal, C."},{"id":"468","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"}],"doi":"10.1039/c4cp05271d","abstract":[{"text":"<p>First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.</p>","lang":"eng"}],"intvolume":"        17"},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"}],"publication_status":"published","user_id":"16199","citation":{"chicago":"Sanson, A., A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, Wolf Gero Schmidt, and S. Sanna. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.” <i>Physical Review B</i> 91 (2015). <a href=\"https://doi.org/10.1103/physrevb.91.094109\">https://doi.org/10.1103/physrevb.91.094109</a>.","ieee":"A. Sanson <i>et al.</i>, “Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals,” <i>Physical Review B</i>, vol. 91, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>.","ama":"Sanson A, Zaltron A, Argiolas N, et al. Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals. <i>Physical Review B</i>. 2015;91. doi:<a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>","apa":"Sanson, A., Zaltron, A., Argiolas, N., Sada, C., Bazzan, M., Schmidt, W. G., &#38; Sanna, S. (2015). Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals. <i>Physical Review B</i>, <i>91</i>. <a href=\"https://doi.org/10.1103/physrevb.91.094109\">https://doi.org/10.1103/physrevb.91.094109</a>","short":"A. Sanson, A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, W.G. Schmidt, S. Sanna, Physical Review B 91 (2015).","mla":"Sanson, A., et al. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.” <i>Physical Review B</i>, vol. 91, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>.","bibtex":"@article{Sanson_Zaltron_Argiolas_Sada_Bazzan_Schmidt_Sanna_2015, title={Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals}, volume={91}, DOI={<a href=\"https://doi.org/10.1103/physrevb.91.094109\">10.1103/physrevb.91.094109</a>}, journal={Physical Review B}, author={Sanson, A. and Zaltron, A. and Argiolas, N. and Sada, C. and Bazzan, M. and Schmidt, Wolf Gero and Sanna, S.}, year={2015} }"},"intvolume":"        91","doi":"10.1103/physrevb.91.094109","project":[{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"68","name":"TRR 142 - Subproject B3"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"author":[{"last_name":"Sanson","full_name":"Sanson, A.","first_name":"A."},{"last_name":"Zaltron","first_name":"A.","full_name":"Zaltron, A."},{"full_name":"Argiolas, N.","first_name":"N.","last_name":"Argiolas"},{"last_name":"Sada","first_name":"C.","full_name":"Sada, C."},{"last_name":"Bazzan","full_name":"Bazzan, M.","first_name":"M."},{"id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"full_name":"Sanna, S.","first_name":"S.","last_name":"Sanna"}],"title":"Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals","date_updated":"2025-12-05T10:36:22Z","volume":91,"_id":"13506","status":"public","language":[{"iso":"eng"}],"type":"journal_article","year":"2015","publication_identifier":{"issn":["1098-0121","1550-235X"]},"date_created":"2019-09-30T13:19:05Z","publication":"Physical Review B"},{"user_id":"16199","publication_status":"published","citation":{"ieee":"A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT,” <i>The Journal of Physical Chemistry B</i>, vol. 119, pp. 6481–6491, 2015, doi: <a href=\"https://doi.org/10.1021/acs.jpcb.5b03615\">10.1021/acs.jpcb.5b03615</a>.","chicago":"Lücke, A., Wolf Gero Schmidt, E. Rauls, F. Ortmann, and Uwe Gerstmann. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” <i>The Journal of Physical Chemistry B</i> 119 (2015): 6481–91. <a href=\"https://doi.org/10.1021/acs.jpcb.5b03615\">https://doi.org/10.1021/acs.jpcb.5b03615</a>.","apa":"Lücke, A., Schmidt, W. G., Rauls, E., Ortmann, F., &#38; Gerstmann, U. (2015). Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT. <i>The Journal of Physical Chemistry B</i>, <i>119</i>, 6481–6491. <a href=\"https://doi.org/10.1021/acs.jpcb.5b03615\">https://doi.org/10.1021/acs.jpcb.5b03615</a>","ama":"Lücke A, Schmidt WG, Rauls E, Ortmann F, Gerstmann U. Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT. <i>The Journal of Physical Chemistry B</i>. 2015;119:6481-6491. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.5b03615\">10.1021/acs.jpcb.5b03615</a>","short":"A. Lücke, W.G. Schmidt, E. Rauls, F. Ortmann, U. Gerstmann, The Journal of Physical Chemistry B 119 (2015) 6481–6491.","bibtex":"@article{Lücke_Schmidt_Rauls_Ortmann_Gerstmann_2015, title={Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT}, volume={119}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcb.5b03615\">10.1021/acs.jpcb.5b03615</a>}, journal={The Journal of Physical Chemistry B}, author={Lücke, A. and Schmidt, Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}, year={2015}, pages={6481–6491} }","mla":"Lücke, A., et al. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” <i>The Journal of Physical Chemistry B</i>, vol. 119, 2015, pp. 6481–91, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.5b03615\">10.1021/acs.jpcb.5b03615</a>."},"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"author":[{"first_name":"A.","full_name":"Lücke, A.","last_name":"Lücke"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","id":"468"},{"first_name":"E.","full_name":"Rauls, E.","last_name":"Rauls"},{"last_name":"Ortmann","full_name":"Ortmann, F.","first_name":"F."},{"orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","id":"171"}],"title":"Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT","doi":"10.1021/acs.jpcb.5b03615","intvolume":"       119","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"volume":119,"page":"6481-6491","_id":"13500","date_updated":"2025-12-05T10:38:44Z","publication":"The Journal of Physical Chemistry B","date_created":"2019-09-30T12:55:43Z","status":"public","publication_identifier":{"issn":["1520-6106","1520-5207"]},"year":"2015","type":"journal_article","language":[{"iso":"eng"}]},{"page":"8776-8783","_id":"13503","volume":17,"date_updated":"2025-12-05T10:37:42Z","date_created":"2019-09-30T13:03:08Z","publication":"Physical Chemistry Chemical Physics","language":[{"iso":"eng"}],"publication_identifier":{"issn":["1463-9076","1463-9084"]},"type":"journal_article","year":"2015","status":"public","citation":{"short":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783.","chicago":"Aldahhak, Hazem, S. Matencio, E. Barrena, C. Ocal, Wolf Gero Schmidt, and E. Rauls. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” <i>Physical Chemistry Chemical Physics</i> 17 (2015): 8776–83. <a href=\"https://doi.org/10.1039/c4cp05271d\">https://doi.org/10.1039/c4cp05271d</a>.","ieee":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” <i>Physical Chemistry Chemical Physics</i>, vol. 17, pp. 8776–8783, 2015, doi: <a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>.","mla":"Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” <i>Physical Chemistry Chemical Physics</i>, vol. 17, 2015, pp. 8776–83, doi:<a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>.","ama":"Aldahhak H, Matencio S, Barrena E, Ocal C, Schmidt WG, Rauls E. Structure formation in diindenoperylene thin films on copper(111). <i>Physical Chemistry Chemical Physics</i>. 2015;17:8776-8783. doi:<a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>","bibtex":"@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={<a href=\"https://doi.org/10.1039/c4cp05271d\">10.1039/c4cp05271d</a>}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }","apa":"Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., &#38; Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). <i>Physical Chemistry Chemical Physics</i>, <i>17</i>, 8776–8783. <a href=\"https://doi.org/10.1039/c4cp05271d\">https://doi.org/10.1039/c4cp05271d</a>"},"publication_status":"published","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"title":"Structure formation in diindenoperylene thin films on copper(111)","author":[{"last_name":"Aldahhak","full_name":"Aldahhak, Hazem","first_name":"Hazem"},{"last_name":"Matencio","first_name":"S.","full_name":"Matencio, S."},{"last_name":"Barrena","first_name":"E.","full_name":"Barrena, E."},{"full_name":"Ocal, C.","first_name":"C.","last_name":"Ocal"},{"orcid":"0000-0002-2717-5076","id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"},{"last_name":"Rauls","first_name":"E.","full_name":"Rauls, E."}],"doi":"10.1039/c4cp05271d","intvolume":"        17","abstract":[{"lang":"eng","text":"<p>First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.</p>"}]},{"language":[{"iso":"eng"}],"year":"2015","type":"journal_article","publication_identifier":{"issn":["1932-7447","1932-7455"]},"status":"public","date_created":"2019-09-30T12:50:03Z","publication":"The Journal of Physical Chemistry C","date_updated":"2025-12-05T10:39:10Z","page":"16947-16953","_id":"13499","volume":119,"doi":"10.1021/acs.jpcc.5b03816","intvolume":"       119","title":"Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol","author":[{"first_name":"Peter","full_name":"Thissen, Peter","last_name":"Thissen"},{"last_name":"Fuchs","first_name":"Ehud","full_name":"Fuchs, Ehud"},{"last_name":"Roodenko","first_name":"Katy","full_name":"Roodenko, Katy"},{"last_name":"Peixoto","first_name":"Tatiana","full_name":"Peixoto, Tatiana"},{"last_name":"Batchelor","full_name":"Batchelor, Ben","first_name":"Ben"},{"last_name":"Smith","full_name":"Smith, Dennis","first_name":"Dennis"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt"},{"full_name":"Chabal, Yves","first_name":"Yves","last_name":"Chabal"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"citation":{"bibtex":"@article{Thissen_Fuchs_Roodenko_Peixoto_Batchelor_Smith_Schmidt_Chabal_2015, title={Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol}, volume={119}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.5b03816\">10.1021/acs.jpcc.5b03816</a>}, journal={The Journal of Physical Chemistry C}, author={Thissen, Peter and Fuchs, Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis and Schmidt, Wolf Gero and Chabal, Yves}, year={2015}, pages={16947–16953} }","ama":"Thissen P, Fuchs E, Roodenko K, et al. Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. <i>The Journal of Physical Chemistry C</i>. 2015;119:16947-16953. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.5b03816\">10.1021/acs.jpcc.5b03816</a>","apa":"Thissen, P., Fuchs, E., Roodenko, K., Peixoto, T., Batchelor, B., Smith, D., Schmidt, W. G., &#38; Chabal, Y. (2015). Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. <i>The Journal of Physical Chemistry C</i>, <i>119</i>, 16947–16953. <a href=\"https://doi.org/10.1021/acs.jpcc.5b03816\">https://doi.org/10.1021/acs.jpcc.5b03816</a>","mla":"Thissen, Peter, et al. “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.” <i>The Journal of Physical Chemistry C</i>, vol. 119, 2015, pp. 16947–53, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.5b03816\">10.1021/acs.jpcc.5b03816</a>.","ieee":"P. Thissen <i>et al.</i>, “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol,” <i>The Journal of Physical Chemistry C</i>, vol. 119, pp. 16947–16953, 2015, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.5b03816\">10.1021/acs.jpcc.5b03816</a>.","short":"P. Thissen, E. Fuchs, K. Roodenko, T. Peixoto, B. Batchelor, D. Smith, W.G. Schmidt, Y. Chabal, The Journal of Physical Chemistry C 119 (2015) 16947–16953.","chicago":"Thissen, Peter, Ehud Fuchs, Katy Roodenko, Tatiana Peixoto, Ben Batchelor, Dennis Smith, Wolf Gero Schmidt, and Yves Chabal. “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.” <i>The Journal of Physical Chemistry C</i> 119 (2015): 16947–53. <a href=\"https://doi.org/10.1021/acs.jpcc.5b03816\">https://doi.org/10.1021/acs.jpcc.5b03816</a>."},"publication_status":"published","user_id":"16199"},{"status":"public","year":"2015","type":"journal_article","publication_identifier":{"issn":["1098-0121","1550-235X"]},"language":[{"iso":"eng"}],"publication":"Physical Review B","date_created":"2019-09-30T13:24:00Z","date_updated":"2025-12-05T10:35:47Z","volume":91,"_id":"13507","intvolume":"        91","doi":"10.1103/physrevb.91.035302","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"66","name":"TRR 142 - Subproject B1"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"author":[{"last_name":"Landmann","first_name":"M.","full_name":"Landmann, M."},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt"},{"last_name":"Neumann","first_name":"M. D.","full_name":"Neumann, M. D."},{"last_name":"Speiser","first_name":"E.","full_name":"Speiser, E."},{"last_name":"Esser","full_name":"Esser, N.","first_name":"N."}],"title":"GaNm-plane: Atomic structure, surface bands, and optical response","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"user_id":"16199","publication_status":"published","citation":{"ieee":"M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” <i>Physical Review B</i>, vol. 91, 2015, doi: <a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>.","chicago":"Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser, and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” <i>Physical Review B</i> 91 (2015). <a href=\"https://doi.org/10.1103/physrevb.91.035302\">https://doi.org/10.1103/physrevb.91.035302</a>.","apa":"Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., &#38; Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response. <i>Physical Review B</i>, <i>91</i>. <a href=\"https://doi.org/10.1103/physrevb.91.035302\">https://doi.org/10.1103/physrevb.91.035302</a>","ama":"Landmann M, Rauls E, Schmidt WG, Neumann MD, Speiser E, Esser N. GaNm-plane: Atomic structure, surface bands, and optical response. <i>Physical Review B</i>. 2015;91. doi:<a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>","short":"M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser, Physical Review B 91 (2015).","bibtex":"@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, volume={91}, DOI={<a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }","mla":"Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” <i>Physical Review B</i>, vol. 91, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.91.035302\">10.1103/physrevb.91.035302</a>."}},{"_id":"13498","date_updated":"2025-12-05T10:39:31Z","date_created":"2019-09-30T12:48:40Z","funded_apc":"1","publication_identifier":{"issn":["0192-8651"]},"year":"2015","language":[{"iso":"eng"}],"status":"public","citation":{"mla":"Rohrmüller, Martin, et al. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” <i>Journal of Computational Chemistry</i>, vol. 36, no. 21–22, 2015, pp. 1672–85, doi:<a href=\"https://doi.org/10.1002/jcc.23983\">10.1002/jcc.23983</a>.","bibtex":"@article{Rohrmüller_Hoffmann_Thierfelder_Herres-Pawlis_Schmidt_2015, title={The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}, volume={36}, DOI={<a href=\"https://doi.org/10.1002/jcc.23983\">10.1002/jcc.23983</a>}, number={21–22}, journal={Journal of Computational Chemistry}, author={Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}, year={2015}, pages={1672–1685} }","short":"M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt, Journal of Computational Chemistry 36 (2015) 1672–1685.","ama":"Rohrmüller M, Hoffmann A, Thierfelder C, Herres-Pawlis S, Schmidt WG. The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. <i>Journal of Computational Chemistry</i>. 2015;36(21-22):1672-1685. doi:<a href=\"https://doi.org/10.1002/jcc.23983\">10.1002/jcc.23983</a>","apa":"Rohrmüller, M., Hoffmann, A., Thierfelder, C., Herres-Pawlis, S., &#38; Schmidt, W. G. (2015). The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. <i>Journal of Computational Chemistry</i>, <i>36</i>(21–22), 1672–1685. <a href=\"https://doi.org/10.1002/jcc.23983\">https://doi.org/10.1002/jcc.23983</a>","chicago":"Rohrmüller, Martin, Alexander Hoffmann, Christian Thierfelder, Sonja Herres-Pawlis, and Wolf Gero Schmidt. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” <i>Journal of Computational Chemistry</i> 36, no. 21–22 (2015): 1672–85. <a href=\"https://doi.org/10.1002/jcc.23983\">https://doi.org/10.1002/jcc.23983</a>.","ieee":"M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†,” <i>Journal of Computational Chemistry</i>, vol. 36, no. 21–22, pp. 1672–1685, 2015, doi: <a href=\"https://doi.org/10.1002/jcc.23983\">10.1002/jcc.23983</a>."},"publication_status":"published","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"author":[{"first_name":"Martin","full_name":"Rohrmüller, Martin","last_name":"Rohrmüller"},{"last_name":"Hoffmann","first_name":"Alexander","full_name":"Hoffmann, Alexander"},{"last_name":"Thierfelder","first_name":"Christian","full_name":"Thierfelder, Christian"},{"last_name":"Herres-Pawlis","first_name":"Sonja","full_name":"Herres-Pawlis, Sonja"},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"}],"intvolume":"        36","page":"1672-1685","volume":36,"issue":"21-22","publication":"Journal of Computational Chemistry","type":"journal_article","user_id":"16199","title":"The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1002/jcc.23983"},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1016/j.susc.2015.07.020","intvolume":"       641","title":"Water adsorbate influence on the Cu(110) surface optical response","author":[{"first_name":"Amirreza","full_name":"Baghbanpourasl, Amirreza","last_name":"Baghbanpourasl"},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","id":"468","orcid":"0000-0002-2717-5076"},{"full_name":"Denk, Mariella","first_name":"Mariella","last_name":"Denk"},{"first_name":"Christoph","full_name":"Cobet, Christoph","last_name":"Cobet"},{"last_name":"Hohage","first_name":"Michael","full_name":"Hohage, Michael"},{"first_name":"Peter","full_name":"Zeppenfeld, Peter","last_name":"Zeppenfeld"},{"last_name":"Hingerl","full_name":"Hingerl, Kurt","first_name":"Kurt"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"citation":{"short":"A. Baghbanpourasl, W.G. Schmidt, M. Denk, C. Cobet, M. Hohage, P. Zeppenfeld, K. Hingerl, Surface Science 641 (2015) 231–236.","chicago":"Baghbanpourasl, Amirreza, Wolf Gero Schmidt, Mariella Denk, Christoph Cobet, Michael Hohage, Peter Zeppenfeld, and Kurt Hingerl. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.” <i>Surface Science</i> 641 (2015): 231–36. <a href=\"https://doi.org/10.1016/j.susc.2015.07.020\">https://doi.org/10.1016/j.susc.2015.07.020</a>.","ieee":"A. Baghbanpourasl <i>et al.</i>, “Water adsorbate influence on the Cu(110) surface optical response,” <i>Surface Science</i>, vol. 641, pp. 231–236, 2015, doi: <a href=\"https://doi.org/10.1016/j.susc.2015.07.020\">10.1016/j.susc.2015.07.020</a>.","mla":"Baghbanpourasl, Amirreza, et al. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.” <i>Surface Science</i>, vol. 641, 2015, pp. 231–36, doi:<a href=\"https://doi.org/10.1016/j.susc.2015.07.020\">10.1016/j.susc.2015.07.020</a>.","ama":"Baghbanpourasl A, Schmidt WG, Denk M, et al. Water adsorbate influence on the Cu(110) surface optical response. <i>Surface Science</i>. 2015;641:231-236. doi:<a href=\"https://doi.org/10.1016/j.susc.2015.07.020\">10.1016/j.susc.2015.07.020</a>","bibtex":"@article{Baghbanpourasl_Schmidt_Denk_Cobet_Hohage_Zeppenfeld_Hingerl_2015, title={Water adsorbate influence on the Cu(110) surface optical response}, volume={641}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2015.07.020\">10.1016/j.susc.2015.07.020</a>}, journal={Surface Science}, author={Baghbanpourasl, Amirreza and Schmidt, Wolf Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld, Peter and Hingerl, Kurt}, year={2015}, pages={231–236} }","apa":"Baghbanpourasl, A., Schmidt, W. G., Denk, M., Cobet, C., Hohage, M., Zeppenfeld, P., &#38; Hingerl, K. (2015). Water adsorbate influence on the Cu(110) surface optical response. <i>Surface Science</i>, <i>641</i>, 231–236. <a href=\"https://doi.org/10.1016/j.susc.2015.07.020\">https://doi.org/10.1016/j.susc.2015.07.020</a>"},"user_id":"16199","publication_status":"published","publication_identifier":{"issn":["0039-6028"]},"year":"2015","type":"journal_article","language":[{"iso":"eng"}],"status":"public","publication":"Surface Science","date_created":"2019-09-30T12:45:59Z","date_updated":"2025-12-05T10:39:53Z","page":"231-236","_id":"13497","volume":641},{"department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"170"},{"_id":"429"}],"citation":{"bibtex":"@article{Heinze_Breddermann_Zrenner_Schumacher_2015, title={A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission}, volume={6}, DOI={<a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>}, number={1}, journal={Nature Communications}, publisher={Springer Nature}, author={Heinze, Dirk and Breddermann, Dominik and Zrenner, Artur and Schumacher, Stefan}, year={2015} }","mla":"Heinze, Dirk, et al. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” <i>Nature Communications</i>, vol. 6, no. 1, Springer Nature, 2015, doi:<a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>.","short":"D. Heinze, D. Breddermann, A. Zrenner, S. Schumacher, Nature Communications 6 (2015).","ama":"Heinze D, Breddermann D, Zrenner A, Schumacher S. A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. <i>Nature Communications</i>. 2015;6(1). doi:<a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>","apa":"Heinze, D., Breddermann, D., Zrenner, A., &#38; Schumacher, S. (2015). A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. <i>Nature Communications</i>, <i>6</i>(1). <a href=\"https://doi.org/10.1038/ncomms9473\">https://doi.org/10.1038/ncomms9473</a>","ieee":"D. Heinze, D. Breddermann, A. Zrenner, and S. Schumacher, “A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission,” <i>Nature Communications</i>, vol. 6, no. 1, 2015, doi: <a href=\"https://doi.org/10.1038/ncomms9473\">10.1038/ncomms9473</a>.","chicago":"Heinze, Dirk, Dominik Breddermann, Artur Zrenner, and Stefan Schumacher. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” <i>Nature Communications</i> 6, no. 1 (2015). <a href=\"https://doi.org/10.1038/ncomms9473\">https://doi.org/10.1038/ncomms9473</a>."},"publication_status":"published","user_id":"16199","project":[{"_id":"53","name":"TRR 142"},{"name":"TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - Subproject A3","_id":"60"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"intvolume":"         6","abstract":[{"text":"Sources of single photons are key elements for applications in quantum information science.\r\nAmong the different sources available, semiconductor quantum dots excel with their\r\nintegrability in semiconductor on-chip solutions and the potential that photon emission can\r\nbe triggered on demand. Usually, the photon is emitted from a single-exciton ground state.\r\nPolarization of the photon and time of emission are either probabilistic or pre-determined by\r\nelectronic properties of the system. Here, we study the direct two-photon emission from the\r\nbiexciton. The two-photon emission is enabled by a laser pulse driving the system into a\r\nvirtual state inside the band gap. From this intermediate state, the single photon of interest\r\nis then spontaneously emitted. We show that emission through this higher-order\r\ntransition provides a versatile approach to generate a single photon. Through the driving\r\nlaser pulse, polarization state, frequency and emission time of the photon can be controlled\r\non-the-fly.","lang":"eng"}],"doi":"10.1038/ncomms9473","article_type":"original","title":"A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission","author":[{"last_name":"Heinze","first_name":"Dirk","full_name":"Heinze, Dirk"},{"last_name":"Breddermann","first_name":"Dominik","full_name":"Breddermann, Dominik"},{"first_name":"Artur","full_name":"Zrenner, Artur","id":"606","last_name":"Zrenner","orcid":"0000-0002-5190-0944"},{"last_name":"Schumacher","id":"27271","full_name":"Schumacher, Stefan","first_name":"Stefan","orcid":"0000-0003-4042-4951"}],"issue":"1","date_updated":"2025-12-05T14:45:38Z","_id":"4330","volume":6,"language":[{"iso":"eng"}],"publication_identifier":{"issn":["2041-1723"]},"type":"journal_article","year":"2015","status":"public","date_created":"2018-08-30T13:07:30Z","publication":"Nature Communications","publisher":"Springer Nature"},{"date_created":"2021-08-06T08:49:10Z","publication":"Journal of Physics: Condensed Matter","language":[{"iso":"eng"}],"type":"journal_article","year":"2015","publication_identifier":{"issn":["0953-8984","1361-648X"]},"status":"public","_id":"22946","volume":27,"article_number":"445501","issue":"44","date_updated":"2025-12-05T14:48:46Z","title":"Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling","author":[{"last_name":"Liu","first_name":"Hong","full_name":"Liu, Hong"},{"full_name":"Heinze, Dirk Florian","first_name":"Dirk Florian","id":"10904","last_name":"Heinze"},{"last_name":"Thanh Duc","full_name":"Thanh Duc, Huynh","first_name":"Huynh"},{"orcid":"0000-0003-4042-4951","id":"27271","last_name":"Schumacher","full_name":"Schumacher, Stefan","first_name":"Stefan"},{"full_name":"Meier, Torsten","first_name":"Torsten","id":"344","last_name":"Meier","orcid":"0000-0001-8864-2072"}],"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"}],"doi":"10.1088/0953-8984/27/44/445501","intvolume":"        27","abstract":[{"text":"The Kane–Mele model was previously used to describe effective spin–orbit couplings (SOCs) in graphene. Here we extend this model and also incorporate curvature effects to analyze the combined influence of SOC and curvature on the band structure of carbon nanotubes (CNTs). The extended model then reproduces the chirality-dependent asymmetric electron-hole splitting for semiconducting CNTs and in the band structure for metallic CNTs shows an opening of the band gap and a change of the Fermi wave vector with spin. For chiral semiconducting CNTs with large chiral angle we show that the spin-splitting configuration of bands near the Fermi energy depends on the value of $\\text{mod}(2n+m,3)$ .","lang":"eng"}],"citation":{"ieee":"H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 44, Art. no. 445501, 2015, doi: <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>.","chicago":"Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i> 27, no. 44 (2015). <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">https://doi.org/10.1088/0953-8984/27/44/445501</a>.","ama":"Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. <i>Journal of Physics: Condensed Matter</i>. 2015;27(44). doi:<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>","apa":"Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., &#38; Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. <i>Journal of Physics: Condensed Matter</i>, <i>27</i>(44), Article 445501. <a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">https://doi.org/10.1088/0953-8984/27/44/445501</a>","short":"H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).","bibtex":"@article{Liu_Heinze_Thanh Duc_Schumacher_Meier_2015, title={Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}, volume={27}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>}, number={44445501}, journal={Journal of Physics: Condensed Matter}, author={Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}, year={2015} }","mla":"Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 44, 445501, 2015, doi:<a href=\"https://doi.org/10.1088/0953-8984/27/44/445501\">10.1088/0953-8984/27/44/445501</a>."},"publication_status":"published","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"297"},{"_id":"230"},{"_id":"35"},{"_id":"27"}]}]